0 B10R1.66 CC(=C)CC[n]1ccc[n]1 Amb24436914 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 CC(=N)NCc1c[nH]c[n]1 Amb25061481 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 CC(=N)NCc1c[s]c[n]1 Amb25323741 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 CC(=N)NCc1coc[n]1 Amb24548006 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 CC(=O)CCC=1NCCN1 Amb25324322 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.66 CC(=O)CC[n]1cc[n][n]1 Amb24666012 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 CC(=O)CC[n]1cccc1 Amb25138234 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 CC(=O)CCc1[n]cco1 Amb18832106 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 CC(=O)CCc1c[n][s][n]1 Amb24548531 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.66 CC(=O)CCc1c[n]co1 Amb18832107 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.66 CC(=O)CCc1c[s][n][n]1 Amb24537997 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 CC(=O)CCc1c[s]c[n]1 Amb25133415 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.66 CC(=O)CCc1cc[nH]c1 Amb18223260 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.66 CC(=O)CCc1cc[n][s]1 Amb24699528 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.66 CC(=O)CCc1ccc[nH]1 Amb24505108 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.66 CC(=O)CCc1cco[n]1 Amb18832105 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.66 CC(=O)CSc1[n]cc[s]1 Amb18178062 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.66 CC(=O)CSc1[n]cco1 Amb25805618 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.66 CC(=O)NCc1[n][n][nH][n]1 Amb18136841 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.66 CC(=O)NCc1[n]cc[s]1 Amb24096277 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.66 CC(=O)NCc1[n]co[n]1 Amb24692411 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.66 CC(=O)NCc1c[nH][n][n]1 Amb24751772 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.66 CC(=O)NCc1c[s]c[n]1 Amb25853246 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.66 CC(=O)NCc1coc[n]1 Amb25051905 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.66 CC(=O)NCc1cscc1 Amb10945323 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.66 CC(=O)OCc1[n]oc[n]1 Amb25204922 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.66 CC(=O)OCc1c[nH]c[n]1 Amb20248319 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.66 CC(=O)OCc1c[n]c[s]1 Amb25279956 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.66 CC(=O)OCc1c[n]o[n]1 Amb24482118 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.66 CC(=O)OCc1cc[s]c1 Amb25369522 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.66 CC(=O)OCc1ccc[nH]1 Amb24478971 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.66 CC(=O)OCc1ccc[s]1 Amb25077698 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.66 CC(=O)OCc1cco[n]1 Amb24482875 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.66 CC(=O)SCc1[n]cc[s]1 Amb24691828 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.66 CC(=O)SCc1c[nH]c[n]1 Amb24482136 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.66 CC(=O)\C=C/c1c[nH]c[n]1 Amb25774188 [0,0,0,0,0,0|1,0,2]=3 40 B10R1.66 CC(=O)\C=C\c1c[s]c[n]1 Amb24673605 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.66 CC(C)NCc1c[nH]c[n]1 Amb18996318 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.66 CC(C)OCc1c[nH]c[n]1 Amb24624389 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.66 CC(CCc1cccs1)O Amb17507262 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(N)CCc1c[nH]cc1 Amb18223143 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.66 CC(O)CC[n]1c[n]c[n]1 Amb24731749 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.66 CC(O)CC[n]1ccc[n]1 Amb24271123 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.66 CC(O)CCc1c[n][s][n]1 Amb24622718 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.66 CC(O)CCc1c[n]c[s]1 Amb25700591 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.66 CC(O)CCc1c[s]c[n]1 Amb24701386 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.66 CC(O)CCc1c[s]cc1 Amb18799744 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 CC(O)CCc1cocc1 Amb25766119 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 CN(C)CCc1c[nH]c[n]1 Amb23603751 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.66 CN(C)CCc1c[s]c[n]1 Amb24099801 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.66 CS(=O)CC[n]1ccc[n]1 Amb25379476 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.66 ClN(Cl)CCc1c[nH]c[n]1 Amb24702255 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.66 NC(=N)CCc1ccc[s]1 Amb18065430 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.66 NC(=N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.66 NC(=N)CCn1ncnc1 Amb13951872 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.66 NC(=N)NCc1c[nH][n][n]1 Amb25267009 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.66 NC(=N)NCc1c[nH]c[n]1 Amb25361500 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.66 NC(=N)NCc1coc[n]1 Amb25230844 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.66 NC(=N)SCc1c[s]c[n]1 Amb24081284 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.66 NC(=N)\C=C\c1c[nH]c[n]1 Amb24502356 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.66 NC(=O)CCC=1CCCC1 Amb25064365 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 NC(=O)CC[n]1c[n]c[n]1 Amb24410666 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.66 NC(=O)CC[n]1cc[n][n]1 Amb25205331 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.66 NC(=O)CCc1[nH][n][n][n]1 Amb25259791 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 NC(=O)CCc1[n][n]c[s]1 Amb24060629 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.66 NC(=O)CCc1[n]cc[s]1 Amb24061373 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.66 NC(=O)CCc1c[n][n][nH]1 Amb23570462 [0,0,0,0,0,0|2,0,2]=4 71 B10R1.66 NC(=O)CCc1c[n]c[nH]1 Amb24563863 [0,0,0,0,0,0|1,0,2]=3 72 B10R1.66 NC(=O)CCc1ccoc1 Amb24722346 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.66 NC(=O)CNc1ccc[s]1 Amb25301327 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 NC(=O)COc1c[s][n][n]1 Amb25696068 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.66 NC(=O)COc1cc[s]c1 Amb25800903 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.66 NC(=O)COc1cco[n]1 Amb25112031 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.66 NC(=O)CSc1[nH]cc[n]1 Amb25109987 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.66 NC(=O)CSc1[n]cc[s]1 Amb18795292 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.66 NC(=O)CSc1[n]cco1 Amb25360614 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.66 NC(=O)CSc1c[s]cc1 Amb24634129 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.66 NC(=O)CSc1cco[n]1 Amb24069884 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.66 NC(=O)CSc1ncn[nH]1 Amb1159129 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.66 NC(=O)NCc1[n]cc[s]1 Amb18791803 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.66 NC(=O)NCc1[n]co[n]1 Amb25098842 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.66 NC(=O)NCc1c[nH][n][n]1 Amb25229950 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.66 NC(=O)NCc1cc[s]c1 Amb25376682 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.66 NC(=O)NCc1ccc[nH]1 Amb25237330 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.66 NC(=O)\C=C/c1c[s]c[n]1 Amb25146273 [0,0,0,0,0,0|2,0,2]=4 91 B10R1.66 NC(=O)\C=C\c1c[nH]c[n]1 Amb24422176 [0,0,0,0,0,0|1,0,2]=3 92 B10R1.66 NC(=O)\C=C\c1cc[nH]c1 Amb25807301 [0,0,0,0,0,0|2,0,2]=4 93 B10R1.66 NC(=S)CCc1[nH]cc[n]1 Amb25844006 [0,0,0,0,0,0|3,1,0]=4 94 B10R1.66 NC(=S)CCc1c[nH]c[n]1 Amb25732993 [0,0,0,0,0,0|1,1,0]=2 95 B10R1.66 NC(=S)CCc1c[n]c[s]1 Amb25269638 [0,0,0,0,0,0|2,1,1]=4 96 B10R1.66 NC(=S)CCc1cc[s]c1 Amb25850668 [0,0,0,0,0,0|3,1,0]=4 97 B10R1.66 NC(=S)CCc1ccco1 Amb17232155 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.66 NC(=S)CCc1cccs1 Amb17232842 [0,0,0,0,0,0|3,1,0]=4 99 B10R1.66 NC(=S)NCc1c[nH]c[n]1 Amb24738972 [0,0,0,0,0,0|2,1,0]=3 100 B10R1.66 NC(=S)NCc1cc[nH]c1 Amb24665391 [0,0,0,0,0,0|3,1,0]=4 101 B10R1.66 O=C(Cl)CCc1c[nH]c[n]1 Amb25042223 [0,0,0,0,0,0|1,0,0]=1 102 B10R1.66 O=C(Cl)CCc1ccc[s]1 Amb23440823 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.66 O=C(Cl)OCc1[n]cc[s]1 Amb24626278 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.66 O=C(Cl)\C=C\c1c[nH]c[n]1 Amb24563426 [0,0,0,0,0,0|1,0,2]=3 105 B10R1.66 O=C(Cl)\C=C\c1cc[nH]c1 Amb25264875 [0,0,0,0,0,0|2,0,2]=4 106 B10R1.66 OB(O)CCc1ccc[s]1 Amb25700463 [0,0,0,0,0,0|3,0,1]=4 107 B10R1.66 OC(=O)C#Cc1c[nH][n][n]1 Amb25047191 [0,0,0,0,0,0|1,0,2]=3 108 B10R1.66 OC(=O)C#Cc1c[nH]cc1 Amb25786552 [0,0,0,0,0,0|1,0,2]=3 109 B10R1.66 OC(=O)C#Cc1c[n]c[s]1 Amb24537958 [0,0,0,0,0,0|1,0,3]=4 110 B10R1.66 OC(=O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|2,0,2]=4 111 B10R1.66 OC(=O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|2,0,2]=4 112 B10R1.66 OC(=O)C=Cc1ccc[s]1 Amb24076486 [0,0,0,0,0,0|2,0,2]=4 113 B10R1.66 OC(=O)C=Cc1cscn1 Amb14011900 [0,0,0,0,0,0|1,0,2]=3 114 B10R1.66 OC(=O)CCC1=CCCO1 Amb25223473 [0,0,0,0,0,0|2,0,1]=3 115 B10R1.66 OC(=O)CCC1=NCCO1 Amb24759321 [0,0,0,0,0,0|2,0,1]=3 116 B10R1.66 OC(=O)CCC1CCC=C1 Amb24568298 [0,0,0,0,0,0|2,0,2]=4 117 B10R1.66 OC(=O)CCC1CNCC1 Amb20668417 [0,0,0,0,0,0|1,0,3]=4 118 B10R1.66 OC(=O)CCC1CNCC1 Amb22059448 [0,0,0,0,0,0|1,0,3]=4 119 B10R1.66 OC(=O)CCC=1CC=CC1 Amb25264551 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.66 OC(=O)CCC=1CN=CN1 Amb24702900 [0,0,0,0,0,0|0,0,2]=2 121 B10R1.66 OC(=O)CCC=1NCCN1 Amb24628283 [0,0,0,0,0,0|2,0,1]=3 122 B10R1.66 OC(=O)CCN1CC=CC1 Amb24388224 [0,0,0,0,0,0|3,0,1]=4 123 B10R1.66 OC(=O)CCN1CNC=C1 Amb25803033 [0,0,0,0,0,0|2,0,1]=3 124 B10R1.66 OC(=O)CC[n]1[n]cc[n]1 Amb24566685 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.66 OC(=O)CC[n]1c[nH+]cc1 Amb19861387 [0,0,0,0,0,0|2,0,1]=3 126 B10R1.66 OC(=O)CC[n]1c[n][n]c1 Amb22587401 [0,0,0,0,0,0|3,0,1]=4 127 B10R1.66 OC(=O)CC[n]1ccc[n]1 Amb22586761 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.66 OC(=O)CCc1[nH][n][n][n]1 Amb18862465 [0,0,0,0,0,0|2,0,1]=3 129 B10R1.66 OC(=O)CCc1[nH][n]c[n]1 Amb18862458 [0,0,0,0,0,0|1,0,1]=2 130 B10R1.66 OC(=O)CCc1[nH]cc[n]1 Amb23401501 [0,0,0,0,0,0|2,0,0]=2 131 B10R1.66 OC(=O)CCc1[n][n]c[s]1 Amb24060630 [0,0,0,0,0,0|2,0,1]=3 132 B10R1.66 OC(=O)CCc1[n]c[n][s]1 Amb18830503 [0,0,0,0,0,0|1,0,1]=2 133 B10R1.66 OC(=O)CCc1[n]c[s][n]1 Amb18830498 [0,0,0,0,0,0|2,0,0]=2 134 B10R1.66 OC(=O)CCc1[n]co[n]1 Amb23592186 [0,0,0,0,0,0|2,0,0]=2 135 B10R1.66 OC(=O)CCc1c[nH][n][n]1 Amb22546300 [0,0,0,0,0,0|1,0,0]=1 136 B10R1.66 OC(=O)CCc1c[nH]c[n]1 Amb22370608 [0,0,0,0,0,0|0,0,0]=0 137 B10R1.66 OC(=O)CCc1c[nH]cn1 Amb10070816 [0,0,0,0,0,0|0,0,0]=0 138 B10R1.66 OC(=O)CCc1c[nH]nc1 Amb10607666 [0,0,0,0,0,0|2,0,0]=2 139 B10R1.66 OC(=O)CCc1c[n][n][s]1 Amb24436641 [0,0,0,0,0,0|2,0,1]=3 140 B10R1.66 OC(=O)CCc1c[n][s][n]1 Amb24549006 [0,0,0,0,0,0|1,0,1]=2 141 B10R1.66 OC(=O)CCc1c[n]c[s]1 Amb18830641 [0,0,0,0,0,0|1,0,1]=2 142 B10R1.66 OC(=O)CCc1c[n]co1 Amb22011672 [0,0,0,0,0,0|1,0,1]=2 143 B10R1.66 OC(=O)CCc1c[n]o[n]1 Amb18202653 [0,0,0,0,0,0|1,0,1]=2 144 B10R1.66 OC(=O)CCc1cc[nH]c1 Amb18562783 [0,0,0,0,0,0|1,0,0]=1 145 B10R1.66 OC(=O)CCc1cc[n][nH]1 Amb18202888 [0,0,0,0,0,0|2,0,1]=3 146 B10R1.66 OC(=O)CCc1cc[n][s]1 Amb18830640 [0,0,0,0,0,0|2,0,1]=3 147 B10R1.66 OC(=O)CCc1cc[s][n]1 Amb18830643 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.66 OC(=O)CCc1ccc[nH]1 Amb10602142 [0,0,0,0,0,0|1,0,1]=2 149 B10R1.66 OC(=O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|2,0,0]=2 150 B10R1.66 OC(=O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|2,0,0]=2 151 B10R1.66 OC(=O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|2,0,1]=3 152 B10R1.66 OC(=O)CCc1ccoc1 Amb18643489 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.66 OC(=O)CCc1cocn1 Amb17399866 [0,0,0,0,0,0|1,0,0]=1 154 B10R1.66 OC(=O)CCc1cscc1 Amb1153814 [0,0,0,0,0,0|2,0,0]=2 155 B10R1.66 OC(=O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|2,0,0]=2 156 B10R1.66 OC(=O)CCc1nnco1 Amb17138394 [0,0,0,0,0,0|2,0,1]=3 157 B10R1.66 OC(=O)CCn1cccc1 Amb1130611 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.66 OC(=O)CCn1cccn1 Amb1159216 [0,0,0,0,0,0|2,0,0]=2 159 B10R1.66 OC(=O)CCn1cncc1 Amb1159316 [0,0,0,0,0,0|2,0,1]=3 160 B10R1.66 OC(=O)CCn1cncn1 Amb1041440 [0,0,0,0,0,0|1,0,1]=2 161 B10R1.66 OC(=O)CCn1cnnc1 Amb17621994 [0,0,0,0,0,0|3,0,1]=4 162 B10R1.66 OC(=O)CCn1cnnn1 Amb1063474 [0,0,0,0,0,0|2,0,1]=3 163 B10R1.66 OC(=O)CNC1=NCCC1 Amb10976570 [0,0,0,0,0,0|2,0,2]=4 164 B10R1.66 OC(=O)CNC1=NCCS1 Amb25109159 [0,0,0,0,0,0|3,0,1]=4 165 B10R1.66 OC(=O)CN[n]1cccc1 Amb25042233 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.66 OC(=O)CNc1[nH]cc[n]1 Amb25228412 [0,0,0,0,0,0|3,0,0]=3 167 B10R1.66 OC(=O)CNc1[n][n]c[s]1 Amb25737188 [0,0,0,0,0,0|3,0,1]=4 168 B10R1.66 OC(=O)CNc1[n]c[n][s]1 Amb25312767 [0,0,0,0,0,0|2,0,1]=3 169 B10R1.66 OC(=O)CNc1c[n]c[s]1 Amb24398595 [0,0,0,0,0,0|2,0,1]=3 170 B10R1.66 OC(=O)CNc1c[n]co1 Amb25317924 [0,0,0,0,0,0|2,0,1]=3 171 B10R1.66 OC(=O)CNc1cc[nH]n1 Amb10793553 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.66 OC(=O)CNc1cc[n][s]1 Amb24482208 [0,0,0,0,0,0|3,0,1]=4 173 B10R1.66 OC(=O)CNc1cc[n]o1 Amb24575684 [0,0,0,0,0,0|3,0,1]=4 174 B10R1.66 OC(=O)CNc1cc[s]c1 Amb25322129 [0,0,0,0,0,0|3,0,0]=3 175 B10R1.66 OC(=O)CNc1cco[n]1 Amb24502420 [0,0,0,0,0,0|3,0,0]=3 176 B10R1.66 OC(=O)CNc1nccs1 Amb10610433 [0,0,0,0,0,0|3,0,0]=3 177 B10R1.66 OC(=O)COc1[n][n]c[s]1 Amb24091062 [0,0,0,0,0,0|3,0,1]=4 178 B10R1.66 OC(=O)COc1c[n][s][n]1 Amb24083891 [0,0,0,0,0,0|2,0,1]=3 179 B10R1.66 OC(=O)COc1c[n]o[n]1 Amb18831519 [0,0,0,0,0,0|2,0,1]=3 180 B10R1.66 OC(=O)COc1cc[s]c1 Amb18126122 [0,0,0,0,0,0|3,0,0]=3 181 B10R1.66 OC(=O)COc1cco[n]1 Amb25850344 [0,0,0,0,0,0|3,0,0]=3 182 B10R1.66 OC(=O)CSC1=NCCO1 Amb24519083 [0,0,0,0,0,0|3,0,1]=4 183 B10R1.66 OC(=O)CSc1[nH]cc[n]1 Amb25362143 [0,0,0,0,0,0|3,0,0]=3 184 B10R1.66 OC(=O)CSc1[n]c[n][s]1 Amb25728181 [0,0,0,0,0,0|2,0,1]=3 185 B10R1.66 OC(=O)CSc1[n]cco1 Amb24647960 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.66 OC(=O)CSc1c[nH]cc1 Amb17593930 [0,0,0,0,0,0|2,0,0]=2 187 B10R1.66 OC(=O)CSc1ccc[nH]1 Amb18644915 [0,0,0,0,0,0|2,0,1]=3 188 B10R1.66 OC(=O)CSc1cco[n]1 Amb18126179 [0,0,0,0,0,0|3,0,0]=3 189 B10R1.66 OC(=O)CSc1n[nH]cn1 Amb10608678 [0,0,0,0,0,0|2,0,0]=2 190 B10R1.66 OC(=O)CSc1nnc[nH]1 Amb1159104 [0,0,0,0,0,0|2,0,2]=4 191 B10R1.66 OC(=O)CSc1nncs1 Amb1126205 [0,0,0,0,0,0|3,0,1]=4 192 B10R1.66 OC(=O)CSc1nnn[nH]1 Amb17073751 [0,0,0,0,0,0|3,0,1]=4 193 B10R1.66 OC(=O)\C=C/c1[nH]cc[n]1 Amb24562289 [0,0,0,0,0,0|2,0,2]=4 194 B10R1.66 OC(=O)\C=C/c1c[n]c[nH]1 Amb25069718 [0,0,0,0,0,0|0,0,4]=4 195 B10R1.66 OC(=O)\C=C/c1cscc1 Amb10071559 [0,0,0,0,0,0|2,0,2]=4 196 B10R1.66 OC(=O)\C=C\C=1C=NCN1 Amb25717013 [0,0,0,0,0,0|0,0,4]=4 197 B10R1.66 OC(=O)\C=C\c1c[nH][n]c1 Amb18955373 [0,0,0,0,0,0|2,0,2]=4 198 B10R1.66 OC(=O)\C=C\c1c[n][s][n]1 Amb18644786 [0,0,0,0,0,0|1,0,3]=4 199 B10R1.66 OC(=O)\C=C\c1c[n]c[s]1 Amb18255752 [0,0,0,0,0,0|1,0,3]=4 200 B10R1.66 OC(=O)\C=C\c1c[n]co1 Amb24696626 [0,0,0,0,0,0|1,0,3]=4 201 B10R1.66 OC(=O)\C=C\c1cc[nH][n]1 Amb25050852 [0,0,0,0,0,0|2,0,2]=4 202 B10R1.66 OC(=O)\C=C\c1cc[nH]c1 Amb18643122 [0,0,0,0,0,0|1,0,2]=3 203 B10R1.66 OC(=O)\C=C\c1cc[s][n]1 Amb24624065 [0,0,0,0,0,0|2,0,2]=4 204 B10R1.66 OC(=O)\C=C\c1ccc[nH]1 Amb18643136 [0,0,0,0,0,0|1,0,3]=4 205 B10R1.66 OC(=O)\C=C\c1coc[n]1 Amb24638306 [0,0,0,0,0,0|1,0,2]=3 206 B10R1.66 OC(=O)\C=C\c1cscc1 Amb1154295 [0,0,0,0,0,0|2,0,2]=4 207 B10R1.66 O[13C](=O)\[13CH]=[13CH]\c1c[n]c[nH]1 Amb19954840 [0,0,0,0,0,0|0,0,4]=4 208 B10R1.66 [O-]C(=O)CCc1c[nH][n][n]1 Amb22741179 [0,0,0,0,0,0|1,0,1]=2 209 B10R1.66 [O-]C(=O)CCn1ccnn1 Amb10609120 [0,0,0,0,0,0|3,0,1]=4 210 B10R1.66 [O-]P(=O)CCc1ccco1 Amb19861305 [0,0,0,0,0,0|3,0,1]=4 211 B10R1.66 [O-][N+](=O)CCc1cccs1 Amb17400023 [0,0,0,0,0,0|3,0,1]=4 212 B10R1.66 [O-][N+](=O)CCc1cocc1 Amb24467635 [0,0,0,0,0,0|3,0,1]=4 213 B9R1.12 BrCCCc1c[nH]c[n]1 Amb22370130 [1,0,0,0,0,0|1,0,1]=3 214 B9R1.12 BrCCCc1c[s]c[n]1 Amb24376114 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.12 C#CCCc1c[nH]c[n]1 Amb21964717 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.12 C=CCCC=1C=CCC1 Amb24596038 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.12 C=CCC[n]1c[n]c[n]1 Amb24690323 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.12 C=CCC[n]1ccc[n]1 Amb24340287 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.12 C=CCCc1c[n]c[s]1 Amb24395987 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.12 C=CCCc1c[s]c[n]1 Amb24102770 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.12 C=CCCc1ccc[nH]1 Amb25858739 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.12 C=CCSc1n[nH]cn1 Amb2415861 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.12 CCCCc1c[nH][n][n]1 Amb24477834 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.12 CCCCc1c[nH]cc1 Amb25771565 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.12 CCCNc1c[nH]c[n]1 Amb24451314 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.12 CCNCc1c[nH]c[n]1 Amb18996317 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.12 CNCCc1c[nH]c[n]1 Amb22367617 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.12 CNCCc1c[nH]c[n]1 Amb23603746 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.12 CNCCc1c[nH]cc1 Amb18062858 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.12 CSCCc1c[s]c[n]1 Amb24733251 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.12 C\C=C\Cc1c[nH]cc1 Amb25146026 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.12 ClCCCc1c[nH]c[n]1 Amb24376423 [1,0,0,0,0,0|1,0,1]=3 233 B9R1.12 ClCCCc1c[s]c[n]1 Amb25260872 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.12 ClNCCc1c[nH]c[n]1 Amb24684146 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.12 N#CCCc1c[nH]c[n]1 Amb24394975 [1,0,0,0,0,0|1,0,1]=3 236 B9R1.12 N#CCCc1c[nH]cc1 Amb18221693 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.12 N#CCCc1c[s]c[n]1 Amb24481975 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.12 NCCCc1c[nH]c[n]1 Amb18642332 [1,0,0,0,0,0|1,0,1]=3 239 B9R1.12 NCCCc1c[nH]cc1 Amb18560456 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.12 NCCCc1c[s]c[n]1 Amb18523794 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.12 NCCCc1coc[n]1 Amb18832743 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.12 O=C=NCc1c[nH]cc1 Amb18062610 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.12 O=CCCC=1CCCC1 Amb24747505 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.12 O=CCC[n]1cccc1 Amb24062842 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.12 O=CCCc1[nH]cc[n]1 Amb25076704 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.12 O=CCCc1[n]cco1 Amb24511583 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.12 O=CCCc1c[nH]c[n]1 Amb18642200 [1,0,0,0,0,0|0,0,0]=1 248 B9R1.12 O=CCCc1c[n][s][n]1 Amb24624489 [1,0,0,0,0,0|1,0,1]=3 249 B9R1.12 O=CCCc1c[n]c[s]1 Amb25705083 [1,0,0,0,0,0|1,0,1]=3 250 B9R1.12 O=CCCc1c[s]c[n]1 Amb24099812 [1,0,0,0,0,0|1,0,0]=2 251 B9R1.12 O=CCCc1ccc[nH]1 Amb24760290 [1,0,0,0,0,0|1,0,1]=3 252 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.12 O=CCCc1coc[n]1 Amb24559446 [1,0,0,0,0,0|1,0,0]=2 255 B9R1.12 O=CCSc1[nH][n]c[n]1 Amb25290152 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.12 O=CCSc1[n]cc[s]1 Amb18800114 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.12 O=CCSc1[n]cco1 Amb24599824 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.12 O=CC[CH]c1c[nH]c[n]1 Amb24073776 [1,0,0,0,0,0|0,0,1]=2 260 B9R1.12 O=CNCc1[nH]cc[n]1 Amb24643553 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.12 O=CNCc1[n]cc[s]1 Amb25295210 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.12 O=CNCc1c[nH][n]c1 Amb24655304 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.12 O=CNCc1c[nH]c[n]1 Amb24478692 [1,0,0,0,0,0|1,0,0]=2 264 B9R1.12 O=CNCc1c[nH]cc1 Amb24643630 [1,0,0,0,0,0|2,0,0]=3 265 B9R1.12 O=CNCc1c[s]c[n]1 Amb25146324 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.12 O=C\C=C\c1c[nH]c[n]1 Amb24558793 [1,0,0,0,0,0|0,0,2]=3 267 B9R1.12 O=C\C=C\c1c[s]c[n]1 Amb25299918 [1,0,0,0,0,0|1,0,2]=4 268 B9R1.12 O=C\C=C\c1coc[n]1 Amb24628925 [1,0,0,0,0,0|1,0,2]=4 269 B9R1.12 OCCCC=1CC=CC1 Amb25851384 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.12 OCCCc1c[nH][n]c1 Amb22279568 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.12 OCCCc1c[nH]c[n]1 Amb19316315 [1,0,0,0,0,0|0,0,1]=2 272 B9R1.12 OCCCc1c[nH]cc1 Amb18222128 [1,0,0,0,0,0|1,0,1]=3 273 B9R1.12 OCCCc1c[n]c[nH]1 Amb22899104 [1,0,0,0,0,0|0,0,3]=4 274 B9R1.12 OCCCc1c[s][n][n]1 Amb24700420 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.12 OCCCc1c[s]c[n]1 Amb24099813 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.12 OCCCc1cc[nH][n]1 Amb25132262 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.12 OCCCc1ccc[nH]1 Amb24428704 [1,0,0,0,0,0|1,0,2]=4 278 B9R1.12 OCCCc1cccs1 Amb17089493 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.12 OCCCc1cscc1 Amb17605794 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.12 OCCNc1c[nH]c[n]1 Amb24733354 [1,0,0,0,0,0|1,0,1]=3 281 B9R1.12 OCCNc1c[nH]cc1 Amb24472507 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.12 OCCOc1c[nH]cc1 Amb25309374 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.12 ONCCc1c[n]c[nH]1 Amb25178668 [1,0,0,0,0,0|1,0,2]=4 284 B11R1.25 C#CC(=O)CC[n]1c[n]c[n]1 Amb25310315 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.25 C#CC(=O)CCc1ccco1 Amb25688728 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.25 C#CC(=O)NCc1c[nH]c[n]1 Amb25189327 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.25 C=CC(=O)CCc1cc[s]c1 Amb25382324 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.25 C=CC(=O)CCc1ccc[s]1 Amb25382321 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.25 C=CC(=O)NCc1c[nH][n][n]1 Amb25280751 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.25 C=CC(=O)NCc1c[s]c[n]1 Amb25172758 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.25 CCC(=N)NCc1c[nH]c[n]1 Amb24669645 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.25 CCC(=O)CCc1c[n][s][n]1 Amb24765750 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.25 CCC(=O)CCc1c[n]c[s]1 Amb25379904 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.25 CCC(=O)CCc1cc[nH]c1 Amb18224290 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 CCC(=O)NCc1c[nH][n][n]1 Amb24513764 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 CCC(=O)NCc1c[nH]c[n]1 Amb25047491 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.25 CCC(=O)NCc1c[s]c[n]1 Amb25838093 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CCC(=O)NCc1coc[n]1 Amb24704025 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.25 CCC(=O)OCc1c[s]c[n]1 Amb24755848 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.25 CCN(C)CCc1c[nH]c[n]1 Amb25383140 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.25 CNC(=N)NCc1c[nH]c[n]1 Amb25844861 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.25 CNC(=O)CC[n]1c[n]c[n]1 Amb25790343 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.25 CNC(=O)CCc1[nH]cc[n]1 Amb24677082 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.25 CNC(=O)CCc1[n]cc[s]1 Amb24448613 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.25 CNC(=O)CCc1c[n]c[s]1 Amb24612881 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.25 CNC(=O)CSc1n[nH]cn1 Amb2415868 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 CNC(=O)NCc1c[nH][n][n]1 Amb25378149 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.25 CNC(=O)NCc1c[s]c[n]1 Amb24412897 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.25 CNC(=O)NCc1cc[nH]c1 Amb25315472 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.25 CNC(=S)NCc1c[nH]c[n]1 Amb25145020 [0,1,0,0,0,0|2,1,0]=4 312 B11R1.25 COC(=N)CCc1ccc[s]1 Amb18563908 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.25 COC(=O)C#Cc1c[s]c[n]1 Amb25678897 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.25 COC(=O)CC[n]1c[n][n][n]1 Amb24765484 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.25 COC(=O)CC[n]1cc[n][n]1 Amb25379925 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.25 COC(=O)CC[n]1cccc1 Amb18799453 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.25 COC(=O)CCc1[nH]c[n][n]1 Amb24751087 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.25 COC(=O)CCc1c[n][n][nH]1 Amb22741037 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.25 COC(=O)CCc1cc[n][nH]1 Amb24766211 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.25 COC(=O)CCc1cc[n]o1 Amb24762935 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.25 COC(=O)CCc1ccc[nH]1 Amb17617751 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.25 COC(=O)CCc1cnc[nH]1 Amb17617502 [0,1,0,0,0,0|0,0,2]=3 324 B11R1.25 COC(=O)CCc1co[n]c1 Amb25382987 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.25 COC(=O)CCc1nccs1 Amb17334847 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.25 COC(=O)CCn1cncn1 Amb15740833 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.25 COC(=O)CSc1[n]c[n][s]1 Amb25382424 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.25 COC(=O)CSc1[n]cc[s]1 Amb19077765 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.25 COC(=O)CSc1[n]cco1 Amb24751292 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.25 COC(=O)CSc1c[s]cc1 Amb24092455 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.25 COC(=O)CSc1n[nH]cn1 Amb16655300 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.25 COC(=O)NCc1[n]cc[s]1 Amb24531348 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.25 COC(=O)NCc1[n]oc[n]1 Amb25116354 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 COC(=O)NCc1c[nH][n]c1 Amb18179576 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.25 COC(=O)NCc1c[n]c[s]1 Amb24095829 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.25 COC(=O)NCc1c[s][n][n]1 Amb24599236 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.25 COC(=O)NCc1cc[nH][n]1 Amb18177386 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.25 COC(=O)NCc1cccs1 Amb17793916 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.25 COC(=O)NCc1cco[n]1 Amb25741367 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.25 COC(=O)NCc1cscc1 Amb10945325 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.25 COC(=O)\C=C\c1c[nH]cn1 Amb10569688 [0,1,0,0,0,0|0,0,2]=3 342 B11R1.25 COC(=O)\C=C\c1c[s]c[n]1 Amb24409150 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.25 COC(=O)\C=C\c1cc[nH]c1 Amb21962731 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.25 COC(=O)\C=C\c1coc[n]1 Amb25208802 [0,1,0,0,0,0|1,0,2]=4 345 B11R1.25 C\C(\CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 ClCC(=O)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.25 N=C(\C=C\c1c[nH]c[n]1)NO Amb25252137 [0,1,0,0,0,0|1,0,2]=4 348 B11R1.25 NC(NCc1c[nH]c[n]1)=NN Amb25063627 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.25 NC(NCc1c[s]c[n]1)=NO Amb25797547 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.25 NC(NCc1coc[n]1)=NO Amb24548287 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.25 NCC(=O)CCc1ccc[s]1 Amb18563911 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.25 NCC(=O)NCc1c[nH][n][n]1 Amb25311851 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 NCC(=O)NCc1c[nH]cc1 Amb18893417 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.25 NCC(=O)NCc1coc[n]1 Amb24629460 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.25 NNC(=O)CCc1[n]cc[s]1 Amb24723452 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.25 NNC(=O)CCc1c[nH]c[n]1 Amb22055532 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.25 NNC(=O)CCc1c[s]c[n]1 Amb24612568 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.25 NNC(=O)CCn1cccn1 Amb10608469 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 NNC(=O)CCn1cncn1 Amb2572787 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.25 NNC(=O)CSc1n[nH]cn1 Amb2223247 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.25 NNC(=O)NCc1c[s]c[n]1 Amb25148280 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 NNC(=O)NCc1coc[n]1 Amb24568368 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.25 NNC(=O)\C=C\c1c[nH]c[n]1 Amb24745746 [0,1,0,0,0,0|1,0,2]=4 364 B11R1.25 N\C(\CCc1cc[s]c1)=N\O Amb24373592 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.25 N\C(\CCc1ccc[s]1)=N\O Amb25059879 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.25 O=C(CBr)CCc1ccco1 Amb25379922 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.25 O=C(CBr)NCc1c[nH]c[n]1 Amb25827945 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.25 O=C(CCl)NCc1c[s]c[n]1 Amb24438694 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.25 O=CC(F)CCc1c[nH]c[n]1 Amb24762073 [0,1,0,0,0,0|1,0,1]=3 370 B11R1.25 OCC(=O)CCc1ccc[s]1 Amb18563930 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.25 OCC(=O)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.25 OCC(=O)NCc1[n]cc[s]1 Amb25763388 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.25 OCC(=O)NCc1c[n]c[s]1 Amb24593723 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.25 OCC(=O)NCc1c[s]c[n]1 Amb25266249 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.25 OCC(=O)NCc1c[s]cc1 Amb24483988 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.25 OCC(=O)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.25 OCC(=O)NCc1cocc1 Amb25163285 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.25 ONC(=O)CC[n]1c[n]c[n]1 Amb24429738 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.25 ONC(=O)CC[n]1cc[n][n]1 Amb25283777 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.25 ONC(=O)CCc1[n]cc[s]1 Amb24423261 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.25 ONC(=O)CCc1c[n]c[nH]1 Amb24527604 [0,1,0,0,0,0|0,0,2]=3 382 B11R1.25 ONC(=O)CCc1c[s]c[n]1 Amb25855394 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.25 ONC(=O)CCc1cc[s]c1 Amb24450606 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.25 ONC(=O)CCc1ccoc1 Amb25845767 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.25 ONC(=O)COc1cc[s]c1 Amb24430531 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.25 ONC(=O)CSc1[n]cc[s]1 Amb24686148 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.35 C=C(Cc1ccc[s]1)C(O)=O Amb24558176 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.35 CC(=O)C(C)Cc1c[nH]cc1 Amb18862485 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.35 CC(=O)C(C)Cc1c[s]cc1 Amb18793197 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.35 CC(=O)C(C)Cc1ccc[s]1 Amb18180158 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.35 CC(=O)C(Cc1cccs1)Br Amb17507811 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.35 CC(=O)C(Cc1cccs1)Cl Amb17507765 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.35 CC(=O)C(N)Cc1c[nH]c[n]1 Amb18125568 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.35 CC(=O)[C@H](C)Cc1ccco1 Amb25334926 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.35 CC(C(=O)O)Cn1cncn1 Amb2572966 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.35 CC(C(=O)O)Sc1ncn[nH]1 Amb2554752 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.35 CC(C[n]1c[n]c[n]1)C(N)=O Amb25378725 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.35 CC(C[n]1cc[n][n]1)C(O)=O Amb24651343 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.35 CC(C[n]1cccc1)C(O)=O Amb18994454 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.35 CC(Cc1[n]c[nH][n]1)C(O)=O Amb25223996 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.35 CC(Cc1c[nH]c[n]1)C(O)=O Amb25150709 [0,1,0,0,0,0|0,0,0]=1 402 B11R1.35 CC(Cc1c[n][n][s]1)C(O)=O Amb24534156 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.35 CC(Cc1c[n][s][n]1)C(O)=O Amb24544898 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.35 CC(Cc1c[s][n][n]1)C(O)=O Amb24523177 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.35 CC(Cc1c[s]c[n]1)C(C)O Amb25213525 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.35 CC(Cc1c[s]c[n]1)C(O)=O Amb18292876 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.35 CC(Cc1cc[n]o1)C(O)=O Amb25241848 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.35 CC(Cc1cc[s]c1)C(N)=O Amb25027885 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.35 CC(Cc1ccco1)C(C)=O Amb17939894 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.35 CC(N[n]1c[n]c[n]1)C(O)=O Amb25287148 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.35 CC(Nc1[nH]cc[n]1)C(O)=O Amb25088420 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.35 CC(Nc1c[s]c[n]1)C(O)=O Amb25088408 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.35 CC(Nc1cc[s]c1)C(O)=O Amb25783888 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.35 CC(Nc1ccco1)C(O)=O Amb25027900 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.35 CC(Sc1[nH]cc[n]1)C(O)=O Amb25726051 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.35 CC(Sc1[n]cco1)C(O)=O Amb24671599 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.35 CN(Cc1c[s]c[n]1)C(N)=O Amb18180323 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.35 C[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb25320661 [0,1,0,0,0,0|0,0,0]=1 419 B11R1.35 C[C@H](Nc1[n]cc[s]1)C(O)=O Amb25292918 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.35 C[C@H](Nc1c[s]c[n]1)C(O)=O Amb24470165 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.35 C[C@H](Nc1ccsc1)C(O)=O Amb17912732 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.35 NC(=Cc1c[s]c[n]1)C(O)=O Amb25767684 [0,1,0,0,0,0|1,0,2]=4 423 B11R1.35 NC(=O)C(N)Cc1[nH]cc[n]1 Amb25189145 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.35 NC(=O)C(N)Cc1[n]cc[s]1 Amb24533629 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.35 NC(=O)C(N)Cc1c[n][s][n]1 Amb24568650 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.35 NC(=O)C(N)Cc1c[n]c[s]1 Amb24413255 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.35 NC(=O)C(N)Cc1c[s][n][n]1 Amb24431085 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.35 NC(=O)C(N)Cc1c[s]cc1 Amb25092321 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.35 NC(=O)C(N)Cc1ccc[s]1 Amb24487730 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.35 NC(=O)[C@@H](N)Cc1[nH]cc[n]1 Amb24697794 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.35 NC(=O)[C@@H](N)Cc1c[n]c[nH]1 Amb22801500 [0,1,0,0,0,0|1,0,2]=4 432 B11R1.35 NC(=O)[C@H](N)Cc1c[nH]c[n]1 Amb22886959 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.35 NC(C(=O)N)Cc1c[nH]cn1 Amb17593848 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.35 NC(CC=1C=NCN1)C(O)=O Amb25061275 [0,1,0,0,0,0|0,0,2]=3 435 B11R1.35 NC(C[n]1[n]cc[n]1)C(O)=O Amb18200241 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.35 NC(C[n]1c[n][n][n]1)C(O)=O Amb25825368 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.35 NC(C[n]1c[n]c[n]1)C(N)=O Amb18294107 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.35 NC(C[n]1c[n]c[n]1)C(O)=O Amb18982288 [0,1,0,0,0,0|1,0,1]=3 439 B11R1.35 NC(C[n]1c[n]cc1)C(O)=O Amb18294042 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.35 NC(C[n]1cc[n][n]1)C(O)=O Amb18200242 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.35 NC(C[n]1ccc[n]1)C(N)=O Amb18984349 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.35 NC(C[n]1ccc[n]1)C(O)=O Amb18982290 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.35 NC(C[n]1cccc1)C(O)=O Amb18200839 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.35 NC(Cc1[nH]cc[n]1)C(O)=O Amb18200494 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.35 NC(Cc1[n]cco1)C(O)=O Amb18200255 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.35 NC(Cc1c[15nH]c[15n]1)C(O)=O Amb22367418 [0,1,0,0,0,0|0,0,0]=1 447 B11R1.35 NC(Cc1c[nH][n]c1)C(O)=O Amb18830910 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.35 NC(Cc1c[nH]c[n]1)C(=O)Cl Amb25779249 [0,1,0,0,0,0|1,0,0]=2 449 B11R1.35 NC(Cc1c[nH]c[n]1)C(F)F Amb25260292 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.35 NC(Cc1c[nH]c[n]1)P(O)=O Amb25364542 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.35 NC(Cc1c[nH]c[n]1)[13C](O)=O Amb22367519 [0,1,0,0,0,0|0,0,0]=1 452 B11R1.35 NC(Cc1c[n][s][n]1)C(O)=O Amb24471428 [0,1,0,0,0,0|1,0,1]=3 453 B11R1.35 NC(Cc1c[n]c[s]1)C(O)=O Amb18301833 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.35 NC(Cc1c[n]o[n]1)C(O)=O Amb18200030 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.35 NC(Cc1c[n]oc1)C(O)=O Amb18830802 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.35 NC(Cc1c[s][n][n]1)C(O)=O Amb24674512 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.35 NC(Cc1cc[nH]c1)C(O)=O Amb18065409 [0,1,0,0,0,0|1,0,0]=2 458 B11R1.35 NC(Cc1cc[n][nH]1)C(O)=O Amb18200498 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.35 NC(Cc1cc[n][s]1)C(O)=O Amb18198297 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.35 NC(Cc1cc[s][n]1)C(O)=O Amb18198296 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.35 NC(Cc1ccc[nH]1)C(O)=O Amb18302277 [0,1,0,0,0,0|1,0,1]=3 462 B11R1.35 NC(Cc1ccoc1)C(O)=O Amb21858415 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.35 NC(Cc1coc[n]1)C(O)=O Amb24409031 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.35 N[C@@H](C(=O)O)Cc1cscn1 Amb10069174 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.35 N[C@@H](C[n]1[n]c[n][n]1)C(O)=O Amb22351166 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.35 N[C@@H](C[n]1c[n][n][n]1)C(O)=O Amb24730621 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.35 N[C@@H](C[n]1c[n]cc1)C(O)=O Amb22750678 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.35 N[C@@H](C[n]1c[n]cc1)C(O)=O Amb22754492 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.35 N[C@@H](Cc1[nH]cc[n]1)C(O)=O Amb24571753 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.35 N[C@@H](Cc1[n]cc[s]1)C(O)=O Amb19149166 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.35 N[C@@H](Cc1c[nH]c[n]1)C(=O)Cl Amb25109967 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.35 N[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22750687 [0,1,0,0,0,0|0,0,0]=1 473 B11R1.35 N[C@@H](Cc1c[n][n][nH]1)C(O)=O Amb25721932 [0,1,0,0,0,0|1,0,2]=4 474 B11R1.35 N[C@@H](Cc1c[n]c[s]1)C(O)=O Amb22745840 [0,1,0,0,0,0|1,0,1]=3 475 B11R1.35 N[C@@H](Cc1cc[nH]c1)C(O)=O Amb22746047 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.35 N[C@@H](Cc1cc[n][nH]1)C(O)=O Amb24718311 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.35 N[C@@H](Cc1ccc[nH]1)C(O)=O Amb22750710 [0,1,0,0,0,0|1,0,1]=3 478 B11R1.35 N[C@@H](Cc1ccc[s]1)C(O)=O Amb22747410 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.35 N[C@@H](Cc1ccoc1)C(O)=O Amb22228970 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.35 N[C@H](C(=O)N)Cc1c[nH]cn1 Amb16183883 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.35 N[C@H](C(=O)O)Cc1cnc[nH]1 Amb16233144 [0,1,0,0,0,0|0,0,2]=3 482 B11R1.35 N[C@H](C(=O)O)Cc1cscn1 Amb10069175 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.35 N[C@H](C(=O)O)Cn1cncn1 Amb17620828 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.35 N[C@H](C[n]1[n]c[n][n]1)C(O)=O Amb25313330 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.35 N[C@H](C[n]1c[n]c[n]1)C(O)=O Amb25843184 [0,1,0,0,0,0|1,0,1]=3 486 B11R1.35 N[C@H](Cc1[n]cc[s]1)C(O)=O Amb24350666 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.35 N[C@H](Cc1c[n][s][n]1)C(O)=O Amb25260240 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.35 N[C@H](Cc1cc[nH][n]1)C(O)=O Amb24700701 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.35 N[C@H](Cc1cc[nH]c1)C(O)=O Amb24056486 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.35 N[C@H](Cc1ccc[nH]1)C(O)=O Amb24082124 [0,1,0,0,0,0|1,0,1]=3 491 B11R1.35 N[C@H](Cc1ccoc1)C(O)=O Amb22228969 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.35 OC(=O)C(=O)Cc1[nH]cc[n]1 Amb25685368 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.35 OC(=O)C(=O)Cc1c[n][s][n]1 Amb25243733 [0,1,0,0,0,0|1,0,2]=4 494 B11R1.35 OC(=O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.35 OC(=O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.35 OC(=O)C(=O)Cc1cscc1 Amb1133942 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.35 OC(=O)C(=S)Cc1ccc[s]1 Amb22472986 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.35 OC(=O)C(Br)Cc1[nH]cc[n]1 Amb24519091 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.35 OC(=O)C(CC1=CCCC1)C Amb10844012 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.35 OC(=O)C(Cc1ccco1)O Amb17138461 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.35 OC(=O)C(Cc1cccs1)O Amb17138686 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.35 OC(=O)C(Cc1cnc[nH]1)Br Amb10072271 [0,1,0,0,0,0|0,0,2]=3 503 B11R1.35 OC(=O)C(Cc1cscc1)C Amb17605844 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.35 OC(=O)C(Cc1nccs1)C Amb17334845 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.35 OC(=O)C(Cc1nccs1)N Amb16227038 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.35 OC(=O)C(Cl)C[n]1c[n]cc1 Amb24486763 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.35 OC(=O)C(Cl)Cc1c[nH]c[n]1 Amb18127345 [0,1,0,0,0,0|0,0,0]=1 508 B11R1.35 OC(=O)C(Cn1cccn1)C Amb2569108 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.35 OC(=O)C(F)C[n]1c[n]c[n]1 Amb25178464 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.35 OC(=O)C(F)Cc1c[s]c[n]1 Amb25200759 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.35 OC(=O)C(F)Cc1cc[s]c1 Amb24568962 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.35 OC(=O)C(F)Cc1ccco1 Amb25042990 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.35 OC(=O)C(F)Sc1[nH][n]c[n]1 Amb24583978 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.35 OC(=O)C(F)Sc1[nH]cc[n]1 Amb24382927 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.35 OC(=O)C(F)Sc1[n]cc[s]1 Amb25169548 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.35 OC(=O)C(F)Sc1[n]cco1 Amb25200008 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.35 OC(=O)C(F)Sc1ccc[s]1 Amb25149141 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.35 OC(=O)C(O)Cc1[nH]c[n][n]1 Amb25080195 [0,1,0,0,0,0|1,0,2]=4 519 B11R1.35 OC(=O)C(O)Cc1[nH]cc[n]1 Amb24358972 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.35 OC(=O)C(O)Cc1c[nH][n]c1 Amb24439315 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.35 OC(=O)C(O)Cc1c[n][s][n]1 Amb24544815 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.35 OC(=O)C(O)Cc1c[n]c[nH]1 Amb24487803 [0,1,0,0,0,0|0,0,2]=3 523 B11R1.35 OC(=O)C(S)Cc1c[n]c[nH]1 Amb24340448 [0,1,0,0,0,0|0,0,2]=3 524 B11R1.35 OC(=O)C(S)Cc1c[n]c[s]1 Amb25341723 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.35 OC(=O)C(S)Cc1c[s][n][n]1 Amb25032760 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.35 OC(=O)C(S)Cc1c[s]c[n]1 Amb24488369 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.35 OC(=O)C(S)Cc1cc[s]c1 Amb18288888 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.35 OC(=O)C(S)Cc1ccc[s]1 Amb18968268 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.35 OC(=O)C(S)Cc1ccco1 Amb18968270 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.35 OC(=O)C([NH3+])Cc1c[nH]cn1 Amb16187387 [0,1,0,0,0,0|0,0,0]=1 531 B11R1.35 OC(=O)[C@@H](Br)Cc1c[n]c[nH]1 Amb25237615 [0,1,0,0,0,0|0,0,2]=3 532 B11R1.35 OC(=O)[C@@H](Cc1c[nH]cn1)Cl Amb17610932 [0,1,0,0,0,0|0,0,0]=1 533 B11R1.35 OC(=O)[C@@H](Cc1ccco1)N Amb10068215 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.35 OC(=O)[C@@H](Cc1cccs1)C Amb10844000 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.35 OC(=O)[C@@H](Cc1cccs1)N Amb10068211 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.35 OC(=O)[C@@H](Cc1cscc1)N Amb10068213 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.35 OC(=O)[C@@H](Nc1cccs1)C Amb10603707 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.35 OC(=O)[C@@H](O)Cc1c[s]cc1 Amb24739592 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.35 OC(=O)[C@@H](O)Cc1ccc[s]1 Amb25074591 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.35 OC(=O)[C@H](Cc1c[nH]cn1)Cl Amb17610931 [0,1,0,0,0,0|0,0,0]=1 541 B11R1.35 OC(=O)[C@H](Cc1ccco1)N Amb10068214 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.35 OC(=O)[C@H](Cc1cccs1)C Amb10844001 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.35 OC(=O)[C@H](Cc1cccs1)N Amb10068210 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.35 OC(=O)[C@H](Cc1cscc1)N Amb10068212 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.35 OC(=O)[C@H](F)Cc1cc[s]c1 Amb25103346 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.35 OC(=O)[C@H](F)Cc1ccc[s]1 Amb25724921 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.35 OC(=O)[C@H](O)Cc1c[n]c[nH]1 Amb25291005 [0,1,0,0,0,0|0,0,2]=3 548 B11R1.35 OC(=O)\C(\F)=C\c1cc[nH]c1 Amb25859294 [0,1,0,0,0,0|1,0,2]=4 549 B11R1.35 OC(C[n]1c[n]c[n]1)C(O)=O Amb25078637 [0,1,0,0,0,0|1,0,1]=3 550 B11R1.35 OC(C[n]1c[n]cc1)C(O)=O Amb25143971 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.35 O[C@H](C(=O)O)Cc1cnc[nH]1 Amb17616036 [0,1,0,0,0,0|0,0,2]=3 552 B11R1.35 [15NH2]C(Cc1c[nH]c[n]1)C(O)=O Amb22367419 [0,1,0,0,0,0|0,0,0]=1 553 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][15nH][13cH][15n]1)[13C](O)=O Amb22353557 [0,1,0,0,0,0|0,0,0]=1 554 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][nH][13cH][n]1)[13C](O)=O Amb22338897 [0,1,0,0,0,0|0,0,0]=1 555 B11R1.35 [15NH2][13CH]([13C](=O)O)[13CH2][13c]1[13cH][15n][13cH][15nH]1 Amb17614974 [0,1,0,0,0,0|0,0,2]=3 556 B11R1.35 [15NH2][C@@H](Cc1c[15nH]c[15n]1)C(O)=O Amb22362613 [0,1,0,0,0,0|0,0,0]=1 557 B11R1.35 [15NH2][C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22339013 [0,1,0,0,0,0|0,0,0]=1 558 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.75 CC(=O)CC[n]1c[n]c(Cl)[n]1 Amb24509424 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.75 CC(=O)CC[n]1cc(Br)c[n]1 Amb24439922 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.75 CC(=O)CC[n]1cc(Cl)c[n]1 Amb18794736 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.75 CC(=O)CCc1c[n](C)cc1 Amb18224264 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.75 CC(=O)CCc1c[n][n](C)[n]1 Amb25236238 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.75 CC(=O)CCc1c[n][n](C)c1 Amb18179442 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.75 CC(=O)CCc1c[s]c(Cl)c1 Amb24523155 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.75 CC(=O)CCc1cc(Br)c[s]1 Amb24533193 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.75 CC(=O)CCc1cc(O)o[n]1 Amb25268451 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.75 CC(=O)CCc1cc[n](C)[n]1 Amb18201311 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.75 CC(=O)CCc1cnc(s1)Cl Amb2436182 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.75 CC(=O)CCc1coc(Br)c1 Amb24613873 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.75 CC(=O)CCc1scc(n1)C Amb17334776 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.75 CC(=O)CSc1[n][nH]c(N)[n]1 Amb21967893 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.75 CC(=O)NCC1=CNC(=O)N1 Amb25240726 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.75 CC(=O)NCc1[n]c[n](C)[n]1 Amb25830783 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.75 CC(=O)OCC=1NNC(=O)N1 Amb25687689 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.75 CC(=O)\C=C\c1c[n](C)c[n]1 Amb24486360 [0,1,0,0,0,0|1,0,2]=4 578 B11R1.75 CC(Br)CCc1c[n](C)c[n]1 Amb24591329 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.75 CC(O)CCc1c[n](C)c[n]1 Amb24502083 [0,1,0,0,0,0|1,0,1]=3 580 B11R1.75 CN(C)CCc1c[nH]c(S)[n]1 Amb25100917 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.75 C[n]1[n]c(CCC(O)=O)[n][n]1 Amb18065445 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.75 C[n]1c[n]c(CCC(O)=O)[n]1 Amb18200507 [0,1,0,0,0,0|1,0,0]=2 583 B11R1.75 C[n]1c[n]c(CNC(N)=O)[n]1 Amb24334906 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.75 C[n]1cc(C#CC(O)=O)[n][n]1 Amb25150626 [0,1,0,0,0,0|1,0,2]=4 585 B11R1.75 C[n]1cc(C#CC(O)=O)[n]c1 Amb25148144 [0,1,0,0,0,0|0,0,2]=3 586 B11R1.75 C[n]1cc(CCC(O)=O)[n][n]1 Amb25065325 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.75 C[n]1cc(CCC(O)=O)[n]c1 Amb18064894 [0,1,0,0,0,0|0,0,0]=1 588 B11R1.75 C[n]1cc(CCC(O)=O)cc1 Amb18065395 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.75 C[n]1cc(CNC(N)=O)[n][n]1 Amb24464455 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.75 C[n]1cc(\C=C\C(O)=O)[n][n]1 Amb24645587 [0,1,0,0,0,0|1,0,2]=4 591 B11R1.75 C[n]1cc(\C=C\C(O)=O)[n]c1 Amb18125373 [0,1,0,0,0,0|0,0,2]=3 592 B11R1.75 C[n]1cc(\C=C\C(O)=O)cc1 Amb18243516 [0,1,0,0,0,0|1,0,2]=4 593 B11R1.75 C[n]1cc(c[n]1)NCC(O)=O Amb18933570 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.75 C[n]1cc(c[n]1)OCC(O)=O Amb23509498 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.75 C[n]1cc(c[n]1)SCC(O)=O Amb18292760 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.75 C[n]1ccc(NCC(O)=O)[n]1 Amb24587678 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.75 C[n]1ccc([n]1)OCC(O)=O Amb25239172 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.75 Cc1[nH][n]c(CNC(C)=O)[n]1 Amb25206519 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.75 Cc1[nH]c(CCC(O)=O)[n][n]1 Amb22587718 [0,1,0,0,0,0|1,0,2]=4 600 B11R1.75 Cc1[nH]cc(CCC(O)=O)[n]1 Amb18064594 [0,1,0,0,0,0|0,0,0]=1 601 B11R1.75 Cc1[nH]cc(CCN(C)C)[n]1 Amb24553083 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.75 Cc1[nH]cc(\C=C\C(N)=O)[n]1 Amb24553055 [0,1,0,0,0,0|1,0,2]=4 603 B11R1.75 Cc1[n][n](CCC(O)=O)[n][n]1 Amb23596818 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.75 Cc1[n]c(CCC(C)=O)c[s]1 Amb18062040 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.75 Cc1[n]c(CCC(C)O)c[s]1 Amb25149001 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.75 Cc1[n]c(CCC(N)=O)c[s]1 Amb24572128 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.75 Cc1[n]c(CCC(O)=O)[s][n]1 Amb18825366 [0,1,0,0,0,0|1,0,1]=3 608 B11R1.75 Cc1[n]c(CNC(C)=O)c[s]1 Amb25731214 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.75 Cc1[n]c(CNC(N)=O)c[s]1 Amb18180321 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.75 Cc1[n]c(COC(C)=O)c[s]1 Amb22749065 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.75 Cc1[n]c(NCC(O)=O)[s][n]1 Amb25283447 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.75 Cc1[n]c(OCC(O)=O)[s][n]1 Amb24414364 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.75 Cc1[n]c(SCC(O)=O)[s][n]1 Amb25208294 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.75 Cc1[n]c(o[n]1)SCC(O)=O Amb19000803 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.75 Cc1[n]c[n](CCC(O)=O)[n]1 Amb18254980 [0,1,0,0,0,0|1,0,1]=3 616 B11R1.75 Cc1[n]cc(CCC(C)=O)[s]1 Amb25084411 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.75 Cc1[n]cc(CCC(N)=O)[s]1 Amb23560128 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.75 Cc1[n]cc(CCC(O)=O)[s]1 Amb18302885 [0,1,0,0,0,0|1,0,1]=3 619 B11R1.75 Cc1[n]cc(CCC(O)=O)o1 Amb18830921 [0,1,0,0,0,0|1,0,1]=3 620 B11R1.75 Cc1c[n](CCC(O)=O)c[n]1 Amb18254950 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.75 Cc1c[n][n](CCC(C)=O)c1 Amb18179419 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.75 Cc1c[n][n](CCC(N)=O)c1 Amb18179477 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.75 Cc1c[n]c(CCC(C)=O)o1 Amb18201112 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.75 Cc1c[n]c(CCC(O)=O)[nH]1 Amb18224359 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.75 Cc1c[n]c(CCC(O)=O)[s]1 Amb25148325 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.75 Cc1c[n]c(SCC(O)=O)[s]1 Amb25769278 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.75 Cc1c[n]c([nH]1)SCC(O)=O Amb25806547 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.75 Cc1cc(CCC(C)=O)[n]o1 Amb18201114 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.75 Cc1cc(CCC(C)=O)c[s]1 Amb25328219 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.75 Cc1cc(CCC(O)=O)[nH]c1 Amb24743692 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.75 Cc1cc(CCC(O)=O)[n][s]1 Amb18198608 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.75 Cc1cc(CCC(O)=O)[n]o1 Amb18061968 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.75 Cc1cc(CCC(O)=O)[s][n]1 Amb18198610 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.75 Cc1cc(CCC(O)=O)[s]c1 Amb22886570 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.75 Cc1cc(CCC(O)=O)o[n]1 Amb18200535 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.75 Cc1cc(NCC(O)=O)[n]o1 Amb20573519 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.75 Cc1cc([nH]n1)CCC(=O)O Amb17334352 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.75 Cc1cc([n]o1)SCC(O)=O Amb18127038 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.75 Cc1ccc(CCC(=O)Cl)[nH]1 Amb24509779 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.75 Cc1ccc([nH]1)CCC(=O)O Amb17593829 [0,1,0,0,0,0|1,0,1]=3 641 B11R1.75 Cc1ccn(n1)CCC(=O)O Amb1929065 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.75 Cc1cn(nc1)CCC(=O)O Amb1935137 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.75 Cc1cnc(o1)CCC(=O)O Amb17087659 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.75 Cc1coc(CCC(O)=O)[n]1 Amb18200527 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.75 Cc1coc([n]1)SCC(O)=O Amb25677553 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.75 Cc1csc(n1)CCC(=O)N Amb1987319 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.75 Cc1csc(n1)SCC(=O)O Amb1130270 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.75 Cc1nc(co1)CCC(=O)O Amb17399989 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.75 Cc1nnc(o1)CCC(=O)O Amb17101939 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.75 N=C1N=C(SS1)SCC(O)=O Amb20663297 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.75 NC(=O)CCC=1CC(=O)NN1 Amb25123401 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.75 NC(=O)CC[n]1c[n]c(Br)[n]1 Amb24277091 [0,1,0,0,0,0|2,0,1]=4 653 B11R1.75 NC(=O)CC[n]1cc(Cl)c[n]1 Amb18795188 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.75 NC(=O)CC[n]1cc(F)c[n]1 Amb23400645 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.75 NC(=O)CC[n]1ccc(Br)[n]1 Amb24269221 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.75 NC(=O)CCc1[nH]nc(n1)N Amb19134574 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.75 NC(=O)CCc1[n][nH]c(S)[n]1 Amb22362599 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.75 NC(=O)CCc1c[nH]c(S)[n]1 Amb25053371 [0,1,0,0,0,0|1,0,0]=2 659 B11R1.75 NC(=O)CCc1ccc(Cl)[s]1 Amb20638603 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.75 NC(=O)CCc1nc(n[nH]1)Br Amb19134545 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.75 NC(=O)CCc1nc(n[nH]1)Cl Amb15772390 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.75 NC(=O)CCn1cc(cn1)Br Amb10608415 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.75 NC(=O)CCn1cc(cn1)I Amb16186682 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.75 NC(=O)NCC1=CNC(=O)N1 Amb25779952 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.75 Nc1[nH][n]c(\C=C/C(O)=O)[n]1 Amb19651306 [0,1,0,0,0,0|1,0,2]=4 666 B11R1.75 Nc1[nH][n]c(\C=C\C(O)=O)[n]1 Amb24414339 [0,1,0,0,0,0|1,0,2]=4 667 B11R1.75 Nc1[n][n]c(CCC(O)=O)o1 Amb18224389 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.75 Nc1[n]c(CCC(O)=O)c[s]1 Amb21955536 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.75 Nc1[n]c(CCC(O)=O)o[n]1 Amb18200031 [0,1,0,0,0,0|1,0,1]=3 670 B11R1.75 Nc1[n]c(c[s]1)NCC(O)=O Amb24693943 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.75 Nc1[n]c[n](CCC(N)=O)[n]1 Amb18292039 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.75 Nc1[n]c[n](CCC(O)=O)[n]1 Amb22280454 [0,1,0,0,0,0|1,0,1]=3 673 B11R1.75 Nc1[n]cc(CCC(O)=O)[s]1 Amb19373489 [0,1,0,0,0,0|1,0,1]=3 674 B11R1.75 Nc1[n]cc(CCC(O)=O)[s]1 Amb22899486 [0,1,0,0,0,0|1,0,1]=3 675 B11R1.75 Nc1[n]cc(SCC(O)=O)[s]1 Amb22490842 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.75 Nc1c[nH]c(CCC(O)=O)[n]1 Amb25292169 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.75 Nc1c[n](CCC(O)=O)[n][n]1 Amb25253567 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.75 Nc1c[n](CCC(O)=O)c[n]1 Amb18200504 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.75 Nc1c[n][n](CCC(O)=O)[n]1 Amb18200236 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.75 Nc1c[n][n](CCC(O)=O)c1 Amb22279501 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.75 Nc1c[n]c(NCC(O)=O)[s]1 Amb24469671 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.75 Nc1cc[n](CCC(N)=O)[n]1 Amb18288887 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.75 Nc1cc[n](CCC(O)=O)[n]1 Amb22279577 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.75 Nc1ccc(CCC(O)=O)[s]1 Amb18825427 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.75 Nc1ccc([nH]1)SCC(=O)O Amb17594310 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.75 Nc1nc(cs1)CCC(=O)O Amb13949099 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.75 Nc1nnc([nH]1)CCC(=O)O Amb10607660 [0,1,0,0,0,0|1,0,2]=4 688 B11R1.75 O=C(Cl)CCc1c[n]c(Br)[s]1 Amb25352021 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.75 O=C(Cl)CCc1c[n]c(Cl)[s]1 Amb24574256 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.75 OC(=O)CCC1=CC(=O)NN1 Amb18200286 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.75 OC(=O)CCC1=CC(=O)NO1 Amb18830676 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.75 OC(=O)CCC1=CNC(=O)N1 Amb19550071 [0,1,0,0,0,0|0,0,1]=2 693 B11R1.75 OC(=O)CCC1=CNC(=S)N1 Amb20243447 [0,1,0,0,0,0|0,0,1]=2 694 B11R1.75 OC(=O)CCC1=CSC(=O)N1 Amb18544048 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.75 OC(=O)CCC=1C=NC(=O)N1 Amb24390389 [0,1,0,0,0,0|0,0,1]=2 696 B11R1.75 OC(=O)CCC=1CC(=O)NN1 Amb18200284 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.75 OC(=O)CCC=1NC(=O)NN1 Amb18291641 [0,1,0,0,0,0|1,0,1]=3 698 B11R1.75 OC(=O)CCC=1NC(=S)NN1 Amb19803766 [0,1,0,0,0,0|1,0,1]=3 699 B11R1.75 OC(=O)CCC=1NNC(=O)N1 Amb20669262 [0,1,0,0,0,0|1,0,0]=2 700 B11R1.75 OC(=O)CCN1C=CC(=O)N1 Amb24666865 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.75 OC(=O)CC[n]1c[n]c(Br)[n]1 Amb24269229 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.75 OC(=O)CC[n]1c[n]c(Cl)[n]1 Amb23481536 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.75 OC(=O)CC[n]1cc(F)c[n]1 Amb23400571 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.75 OC(=O)CC[n]1cc(S)c[n]1 Amb24601714 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.75 OC(=O)CC[n]1ccc(Br)[n]1 Amb20619997 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.75 OC(=O)CC[n]1ccc(I)[n]1 Amb24192757 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.75 OC(=O)CCc1[n][n]c(S)o1 Amb18862901 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.75 OC(=O)CCc1[n]c(Br)[n]o1 Amb18162861 [0,1,0,0,0,0|1,0,1]=3 709 B11R1.75 OC(=O)CCc1[n]cc(Br)[s]1 Amb25758944 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.75 OC(=O)CCc1[n]cc(I)[s]1 Amb25150651 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.75 OC(=O)CCc1c[nH]c(=O)[nH]1 Amb1922109 [0,1,0,0,0,0|0,0,1]=2 712 B11R1.75 OC(=O)CCc1c[nH]c(Cl)[n]1 Amb24743724 [0,1,0,0,0,0|0,0,0]=1 713 B11R1.75 OC(=O)CCc1c[n]c(F)[nH]1 Amb25317480 [0,1,0,0,0,0|0,0,2]=3 714 B11R1.75 OC(=O)CCc1c[s]c(Cl)[n]1 Amb24408064 [0,1,0,0,0,0|1,0,0]=2 715 B11R1.75 OC(=O)CCc1c[s]c(Cl)c1 Amb25116438 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.75 OC(=O)CCc1c[s]c(S)[n]1 Amb18129800 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.75 OC(=O)CCc1cc(Cl)c[s]1 Amb19374564 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.75 OC(=O)CCc1cc(Cl)co1 Amb23537476 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.75 OC(=O)CCc1cc(no1)Br Amb16186748 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.75 OC(=O)CCc1cc(no1)Cl Amb1063482 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.75 OC(=O)CCc1cnn(c1)C Amb1946073 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.75 OC(=O)CCc1csc(n1)Br Amb17409134 [0,1,0,0,0,0|1,0,0]=2 724 B11R1.75 OC(=O)CCc1nc(n[nH]1)Br Amb15741209 [0,1,0,0,0,0|1,0,1]=3 725 B11R1.75 OC(=O)CCc1nc(n[nH]1)Cl Amb15701473 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.75 OC(=O)CCc1nnc([nH]1)S Amb1039475 [0,1,0,0,0,0|1,0,2]=4 727 B11R1.75 OC(=O)CCc1noc(n1)C Amb17081559 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.75 OC(=O)CCn1cc(cn1)Br Amb1946001 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.75 OC(=O)CCn1cc(cn1)Cl Amb1945454 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.75 OC(=O)CCn1cc(cn1)I Amb16186678 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.75 OC(=O)CNC1=NC(=O)CS1 Amb2500894 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.75 OC(=O)CNC=1NC(=S)NN1 Amb25028117 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.75 OC(=O)COc1[n]c(Br)c[s]1 Amb25283533 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.75 OC(=O)COc1c[s]c(Cl)c1 Amb18651351 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.75 OC(=O)CSC1=NC(=O)CS1 Amb25209938 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.75 OC(=O)CSC1=NNC(=O)S1 Amb25322203 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.75 OC(=O)CSC1=NNC(=S)S1 Amb19262221 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.75 OC(=O)CSC=1NC(=O)NN1 Amb22551832 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.75 OC(=O)CSc1[n]c(Br)c[s]1 Amb25231132 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.75 OC(=O)CSc1[n]c(Cl)c[s]1 Amb25378608 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.75 OC(=O)CSc1[n]cc(I)[s]1 Amb25700193 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.75 OC(=O)CSc1ccc(s1)Br Amb17083000 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.75 OC(=O)CSc1ccc(s1)Cl Amb17082995 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.75 OC(=O)NCc1c[nH]c(=O)[nH]1 Amb24068912 [0,1,0,0,0,0|1,0,1]=3 745 B11R1.75 OC(=O)\C=C/c1[n][nH]c(Br)[n]1 Amb19737358 [0,1,0,0,0,0|1,0,2]=4 746 B11R1.75 OC(=O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,1,0,0,0,0|0,0,3]=4 747 B11R1.75 Oc1[nH][n]c(\C=C/C(O)=O)[n]1 Amb19737359 [0,1,0,0,0,0|1,0,2]=4 748 B11R1.75 Oc1[nH]c(CCC(O)=O)[n][n]1 Amb18862524 [0,1,0,0,0,0|1,0,2]=4 749 B11R1.75 Oc1c[n][n](CCC(O)=O)c1 Amb18200252 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.75 Oc1c[n]c(CCC(O)=O)[nH]1 Amb18224385 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.77 CC(=C)CC(O)c1c[s]c[n]1 Amb24710711 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.77 CC(=O)CC(=O)c1c[nH]cc1 Amb18065345 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.77 CC(=O)CC(C)c1c[s]c[n]1 Amb24408556 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.77 CC(=O)CC(C)c1c[s]cc1 Amb25062699 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.77 CC(=O)CC(C)c1cocc1 Amb25223137 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.77 CC(=O)CC(N)c1cc[s]c1 Amb24565933 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.77 CC(=O)CC(N)c1ccc[s]1 Amb25260094 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.77 CC(=O)CC(O)c1cc[s]c1 Amb25150153 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.77 CC(=O)CC(O)c1ccc[s]1 Amb25142708 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.77 CC(=O)C[C@@H](O)c1ccco1 Amb25151584 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.77 CC(=O)C[C@H](C)c1ccco1 Amb24691777 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.77 CC(CC(C)=O)[n]1ccc[n]1 Amb25074243 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.77 CC(CC(C)O)c1c[s]c[n]1 Amb25031646 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.77 CC(CC(O)=O)C=1NCCN1 Amb25365396 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.77 CC(CC(O)=O)[n]1c[n][n][n]1 Amb24397469 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.77 CC(CC(O)=O)[n]1c[n]cc1 Amb20668070 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.77 CC(CC(O)=O)[n]1cc[n][n]1 Amb24666821 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.77 CC(CC(O)=O)c1[nH]c[n][n]1 Amb24358820 [0,1,0,0,0,0|1,0,2]=4 769 B11R1.77 CC(CC(O)=O)c1[nH]cc[n]1 Amb18200835 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.77 CC(CC(O)=O)c1c[nH][n]c1 Amb24398308 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.77 CC(CC(O)=O)c1cc[nH]c1 Amb18065399 [0,1,0,0,0,0|1,0,0]=2 772 B11R1.77 CC(CC(O)=O)c1cc[n][s]1 Amb24681634 [0,1,0,0,0,0|2,0,1]=4 773 B11R1.77 CC(CC(O)=O)c1cc[n]o1 Amb25350744 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.77 CC(CC(O)=O)c1cc[s][n]1 Amb24610537 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.77 CC(CC(O)=O)c1cc[s]c1 Amb25274979 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.77 CC(CC(O)=O)c1ccc[nH]1 Amb25150500 [0,1,0,0,0,0|1,0,1]=3 777 B11R1.77 CC(n1cncn1)CC(=O)O Amb2572537 [0,1,0,0,0,0|1,0,1]=3 778 B11R1.77 CN(CC(O)=O)c1[n]c[n][s]1 Amb24413473 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.77 C[C@H](CC(O)=O)[n]1c[n][n][n]1 Amb24693920 [0,1,0,0,0,0|2,0,1]=4 780 B11R1.77 C\C(=C/C(O)=O)\c1cc[nH]c1 Amb18065343 [0,1,0,0,0,0|1,0,2]=4 781 B11R1.77 NC(=O)CC(N)c1[nH]cc[n]1 Amb25172756 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.77 NC(=O)CC(N)c1c[nH]c[n]1 Amb25172757 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.77 NC(=O)CC(N)c1c[n]c[s]1 Amb25145791 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.77 NC(=O)CC(O)c1cc[s]c1 Amb24486105 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.77 NC(=O)CC(O)c1ccco1 Amb25840351 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.77 NC(=O)CC(c1cccs1)C Amb17232718 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.77 NC(=O)C[C@@H](N)c1c[s][n][n]1 Amb25187525 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.77 NC(=O)C[C@@H](N)c1c[s]cc1 Amb18180266 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.77 NC(=O)C[C@@H](N)c1ccc[s]1 Amb18180267 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.77 NC(=O)C[C@H](N)c1[n]cc[s]1 Amb24488046 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.77 NC(=O)C[C@H](N)c1c[n]c[s]1 Amb25100556 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.77 NC(=O)C[C@H](N)c1c[s][n][n]1 Amb25789110 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.77 NC(=O)C[C@H](N)c1c[s]c[n]1 Amb24488370 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.77 NC(=O)C[C@H](N)c1c[s]cc1 Amb24653277 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.77 NC(CC(O)=O)C1=CCCO1 Amb24656759 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.77 NC(CC(O)=O)C=1CC=CN1 Amb24429654 [0,1,0,0,0,0|1,0,1]=3 799 B11R1.77 NC(CC(O)=O)c1[nH][n][n][n]1 Amb25138752 [0,1,0,0,0,0|2,0,1]=4 800 B11R1.77 NC(CC(O)=O)c1[n][n]co1 Amb24643769 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.77 NC(CC(O)=O)c1cc[n]o1 Amb24734907 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.77 NC(CC(O)=O)c1ccc[nH]1 Amb24061838 [0,1,0,0,0,0|1,0,1]=3 803 B11R1.77 N[C@@H](CC(O)=O)C=1CC=CN1 Amb24488469 [0,1,0,0,0,0|1,0,1]=3 804 B11R1.77 N[C@@H](CC(O)=O)c1[nH][n][n][n]1 Amb25255709 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.77 N[C@@H](CC(O)=O)c1c[nH]c[n]1 Amb24650920 [0,1,0,0,0,0|0,0,0]=1 806 B11R1.77 N[C@@H](CC(O)=O)c1cc[nH]c1 Amb24402389 [0,1,0,0,0,0|1,0,0]=2 807 B11R1.77 N[C@@H](CC(O)=O)c1cc[s]c1 Amb18180319 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.77 N[C@@H](CC(O)=O)c1ccc[nH]1 Amb25836815 [0,1,0,0,0,0|1,0,1]=3 809 B11R1.77 N[C@@H](CC(O)=O)c1ccc[s]1 Amb18180320 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.77 N[C@@H](CC(O)=O)c1ccco1 Amb18179572 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.77 N[C@@H](CC(O)=O)c1ccoc1 Amb25058814 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.77 N[C@H](CC(O)=O)c1[n]cc[s]1 Amb24739741 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.77 N[C@H](CC(O)=O)c1c[n]c[nH]1 Amb25322373 [0,1,0,0,0,0|0,0,2]=3 814 B11R1.77 N[C@H](CC(O)=O)c1cc[n]o1 Amb25381253 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.77 N[C@H](CC(O)=O)c1ccco1 Amb25319193 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.77 OC(=O)CC(=O)c1ccc[s]1 Amb18647321 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.77 OC(=O)CC(Cl)c1ccc[s]1 Amb18120438 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.77 OC(=O)CC(Cl)c1ccco1 Amb18119889 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.77 OC(=O)CC(O)c1c[nH]cc1 Amb25785506 [0,1,0,0,0,0|1,0,0]=2 820 B11R1.77 OC(=O)CC(O)c1c[n]c[s]1 Amb18198065 [0,1,0,0,0,0|1,0,1]=3 821 B11R1.77 OC(=O)CC(O)c1c[n]co1 Amb18200045 [0,1,0,0,0,0|1,0,1]=3 822 B11R1.77 OC(=O)CC(O)c1c[s]c[n]1 Amb18198066 [0,1,0,0,0,0|1,0,0]=2 823 B11R1.77 OC(=O)CC(O)c1cocc1 Amb24485369 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.77 OC(=O)CC(c1ccco1)N Amb2583027 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.77 OC(=O)CC(c1ccco1)O Amb17232169 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.77 OC(=O)CC(c1cccs1)N Amb1993734 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.77 OC(=O)CC(c1cccs1)O Amb17232866 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.77 OC(=O)CC(c1cscc1)N Amb2438718 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.77 OC(=O)CC(c1nccs1)C Amb17334846 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.77 OC(=O)CN(c1nccs1)C Amb1124707 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.77 OC(=O)CS(=O)c1[n]c[nH][n]1 Amb24711276 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.77 OC(=O)CS(=O)c1ccc[s]1 Amb18975301 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.90 CC(=O)CCc1[n]cc[n]1C Amb25691923 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.90 CC(=O)CCc1[s]ccc1Br Amb25329410 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.90 CC(=O)CCc1[s]ccc1Cl Amb25692710 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.90 CC(=O)CCc1c[s]cc1Br Amb24667267 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.90 CC(=O)CCc1cc[s]c1Cl Amb24373333 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.90 CC(=O)CCc1occc1Br Amb24454394 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.90 CC1CC=NN1CCC(O)=O Amb24487661 [0,1,0,0,0,0|2,0,1]=4 840 B11R1.90 CC=1CCCC1CCC(O)=O Amb24373821 [0,1,0,0,0,0|2,0,1]=4 841 B11R1.90 CN1CCN=C1CCC(O)=O Amb18200191 [0,1,0,0,0,0|2,0,1]=4 842 B11R1.90 C[n]1[n][n][n]c1CCC(O)=O Amb24670084 [0,1,0,0,0,0|2,0,1]=4 843 B11R1.90 C[n]1[n][n]cc1CCC(O)=O Amb25075001 [0,1,0,0,0,0|1,0,2]=4 844 B11R1.90 C[n]1[n]c[n]c1CCC(O)=O Amb18995485 [0,1,0,0,0,0|1,0,1]=3 845 B11R1.90 C[n]1c[n]cc1CCC(O)=O Amb23441168 [0,1,0,0,0,0|0,0,2]=3 846 B11R1.90 C[n]1cc[n]c1NCC(O)=O Amb18295709 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.90 C[n]1cc[n]c1OCC(O)=O Amb25316568 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.90 C[n]1cc[n]c1SCC(O)=O Amb22757978 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.90 C[n]1cccc1CCC(=O)Cl Amb25089761 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.90 Cc1[nH]c[n]c1CCC(O)=O Amb18062653 [0,1,0,0,0,0|0,0,0]=1 851 B11R1.90 Cc1[nH]c[n]c1CCN(C)C Amb25101294 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.90 Cc1[nH]c[n]c1CNC(C)=N Amb24565319 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.90 Cc1[nH]c[n]c1CNC(C)=O Amb24420658 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.90 Cc1[nH]c[n]c1CNC(N)=N Amb25191305 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.90 Cc1[nH]c[n]c1CSC(N)=N Amb25794887 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.90 Cc1[n][nH]cc1CCC(C)=O Amb18201304 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.90 Cc1[n][nH]cc1CCC(O)=O Amb18200786 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.90 Cc1[n][s][n]c1CCC(O)=O Amb18825365 [0,1,0,0,0,0|1,0,1]=3 859 B11R1.90 Cc1[n][s]cc1CCC(O)=O Amb24509124 [0,1,0,0,0,0|2,0,1]=4 860 B11R1.90 Cc1[n]c[n][n]1CCC(O)=O Amb18254989 [0,1,0,0,0,0|1,0,1]=3 861 B11R1.90 Cc1[n]c[s]c1CCC(N)=O Amb24740415 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.90 Cc1[n]coc1CCC(O)=O Amb18830918 [0,1,0,0,0,0|1,0,1]=3 863 B11R1.90 Cc1[n]o[n]c1CCC(O)=O Amb18200254 [0,1,0,0,0,0|1,0,1]=3 864 B11R1.90 Cc1[n]occ1CCC(O)=O Amb18200518 [0,1,0,0,0,0|2,0,1]=4 865 B11R1.90 Cc1[s][n]cc1CCC(O)=O Amb18825426 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.90 Cc1[s]ccc1CCC(O)=O Amb18198905 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.90 Cc1c[nH]cc1CCC(=O)O Amb17593830 [0,1,0,0,0,0|1,0,0]=2 868 B11R1.90 Cc1c[nH]cc1CC[N+]([O-])=O Amb24679381 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.90 Cc1c[n][nH]c1CCC(O)=O Amb18200777 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.90 Cc1c[n][s]c1CCC(O)=O Amb18198609 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.90 Cc1c[n]oc1CCC(O)=O Amb25238550 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.90 Cc1cc[n][n]1CCC(N)=O Amb25117087 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.90 Cc1ccoc1CCC(O)=O Amb18200842 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.90 Cc1cocc1CCC(C)=O Amb24753002 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.90 Cc1cocc1CCC(O)=O Amb24628818 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.90 Cc1nccn1CCC(=O)O Amb1099401 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.90 Cc1nccn1CCC(=O)O Amb1292944 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.90 Cc1o[n]cc1CCC(O)=O Amb18200543 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.90 Cc1oc[n]c1CCC(O)=O Amb18200534 [0,1,0,0,0,0|1,0,0]=2 880 B11R1.90 Cc1oc[n]c1CNC(C)=O Amb24371811 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.90 Cc1oc[n]c1CNC(N)=O Amb24355228 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.90 Cc1oc[n]c1COC(C)=O Amb24363436 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.90 Cc1occc1CCC(O)=O Amb18125680 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.90 Cc1occc1SCC(O)=O Amb25148064 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.90 Cn1cnnc1CCC(=O)O Amb10608042 [0,1,0,0,0,0|1,0,2]=4 886 B11R1.90 NC(=O)CCN1C=CNC1=O Amb25769541 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.90 Nc1[n]o[n]c1CCC(O)=O Amb18633351 [0,1,0,0,0,0|1,0,1]=3 888 B11R1.90 Nc1[n]o[n]c1NCC(O)=O Amb24417065 [0,1,0,0,0,0|2,0,1]=4 889 B11R1.90 Nc1cc[n][n]1CCC(O)=O Amb25071565 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.90 Nc1cc[s]c1SCC(O)=O Amb18650228 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.90 OC(=O)CCC1=CCCC1=O Amb18125691 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.90 OC(=O)CCC1N=CNC1=O Amb25028108 [0,1,0,0,0,0|0,0,1]=2 893 B11R1.90 OC(=O)CCN1C=CSC1=O Amb18967966 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.90 OC(=O)CCN1CCNC1=O Amb19002909 [0,1,0,0,0,0|2,0,1]=4 895 B11R1.90 OC(=O)CCN1N=CNC1=O Amb25268506 [0,1,0,0,0,0|1,0,0]=2 896 B11R1.90 OC(=O)CCN1N=COC1=O Amb24743681 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.90 OC(=O)CCN1SC=CC1=O Amb25803459 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.90 OC(=O)CC[n]1[n][n][n]c1S Amb18127167 [0,1,0,0,0,0|2,0,1]=4 899 B11R1.90 OC(=O)CC[n]1[n]c[n]c1Br Amb24269224 [0,1,0,0,0,0|1,0,1]=3 900 B11R1.90 OC(=O)CC[n]1[n]c[n]c1Cl Amb24269227 [0,1,0,0,0,0|1,0,1]=3 901 B11R1.90 OC(=O)CC[n]1[n]ccc1Br Amb24269226 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.90 OC(=O)CC[n]1[n]ccc1I Amb24269233 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.90 OC(=O)CC[n]1cc[n]c1S Amb18825367 [0,1,0,0,0,0|2,0,1]=4 904 B11R1.90 OC(=O)CCc1[n][n][nH]c1S Amb24400635 [0,1,0,0,0,0|1,0,0]=2 905 B11R1.90 OC(=O)CCc1[s]c[n]c1Br Amb18732847 [0,1,0,0,0,0|1,0,1]=3 906 B11R1.90 OC(=O)CCc1[s]ccc1Br Amb18293479 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.90 OC(=O)CCc1c[s]cc1Br Amb25826996 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.90 OC(=O)CCc1cc[s]c1Cl Amb25101050 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.90 OC(=O)CCc1occc1Br Amb25823223 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.90 OC(=O)CCn1nccc1C Amb1812057 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.90 OC(=O)CCn1nnnc1C Amb1098999 [0,1,0,0,0,0|2,0,1]=4 912 B11R1.90 OC(=O)COc1c[s]cc1Cl Amb18651350 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.90 OC(=O)COc1cc[s]c1Cl Amb18651352 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.90 OC(=O)CSc1nccn1C Amb1141996 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.90 Oc1[n]cc[n]1CCC(O)=O Amb18200269 [0,1,0,0,0,0|2,0,1]=4 916 B11R1.510 CC(C)(O)CCc1c[nH]cc1 Amb18862498 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.510 CS(=O)(=O)CCc1c[s]c[n]1 Amb24643768 [0,1,0,0,0,0|2,0,1]=4 918 B11R1.510 CS(=O)(=O)OCc1c[nH]c[n]1 Amb25748992 [0,1,0,0,0,0|2,0,1]=4 919 B11R1.510 CS(=O)(=O)SCc1nc[nH]c1 Amb17616033 [0,1,0,0,0,0|2,0,1]=4 920 B11R1.510 CS(=O)(=O)SCc1nc[nH]c1 Amb17616034 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.510 NS(=O)(=O)CCc1c[s]c[n]1 Amb25342950 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.510 O=S(=O)(Cl)CCc1c[nH][n][n]1 Amb25710046 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.510 O=S(=O)(Cl)CCc1c[nH]cc1 Amb18224856 [0,1,0,0,0,0|2,0,1]=4 924 B11R1.510 O=S(=O)(Cl)CCc1c[s]c[n]1 Amb25342951 [0,1,0,0,0,0|2,0,1]=4 925 B9R0.2 C#CC\C=C\CCC(O)=O Amb25264926 [0,0,1,0,0,0|2,0,1]=4 926 B9R0.2 C=CC\C=C\CCC(O)=O Amb18643540 [0,0,1,0,0,0|2,0,0]=3 927 B9R0.2 C=C\C=C\CCCC(O)=O Amb25085778 [0,0,1,0,0,0|2,0,1]=4 928 B9R0.2 CC(=O)CC\C=C\CC=C Amb25245400 [0,0,1,0,0,0|3,0,0]=4 929 B9R0.2 CCC\C=C\CCC(O)=O Amb25378821 [0,0,1,0,0,0|2,0,1]=4 930 B9R0.2 C\C=C\C=C\CCC(C)=O Amb24478389 [0,0,1,0,0,0|3,0,0]=4 931 B9R0.2 C\C=C\C=C\CCC(O)=O Amb18643576 [0,0,1,0,0,0|2,0,0]=3 932 B9R0.43 CCC(CCC(O)=O)=CC Amb24480728 [0,0,1,0,0,0|2,0,1]=4 933 B9R0.43 NCC(CCC(O)=O)=NO Amb24591142 [0,0,1,0,0,0|1,0,1]=3 934 B9R0.43 NNC(NCC(O)=O)=NN Amb24524448 [0,0,1,0,0,0|3,0,0]=4 935 B9R0.48 C=C=CC(=O)CCC(O)=O Amb25367303 [0,0,1,0,0,0|2,0,0]=3 936 B9R0.48 C=C=C[C@@H](N)CCC(O)=O Amb24480739 [0,0,1,0,0,0|1,0,2]=4 937 B9R0.48 C=CCC(=O)CCC(O)=O Amb18643852 [0,0,1,0,0,0|2,0,1]=4 938 B9R0.48 C=CNC(=O)CCC(O)=O Amb24505247 [0,0,1,0,0,0|2,0,1]=4 939 B9R0.48 CC(CCC(O)=O)=CC#C Amb24629994 [0,0,1,0,0,0|2,0,1]=4 940 B9R0.48 CC(CCC(O)=O)=CC#N Amb25069291 [0,0,1,0,0,0|3,0,0]=4 941 B9R0.48 C\C(\CCC(O)=O)=C/C#C Amb24460669 [0,0,1,0,0,0|2,0,1]=4 942 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [0,0,1,0,0,0|3,0,0]=4 943 B9R0.48 C\C(\CCC(O)=O)=C\SC Amb24520805 [0,0,1,0,0,0|2,0,1]=4 944 B9R0.48 C\C=C\C(=O)CCC(O)=O Amb24620816 [0,0,1,0,0,0|2,0,1]=4 945 B9R0.48 NC(CCC(O)=O)=CC#N Amb24459243 [0,0,1,0,0,0|2,0,1]=4 946 B9R0.48 NCCC(=O)CCC(O)=O Amb25790735 [0,0,1,0,0,0|2,0,1]=4 947 B9R0.48 N\C(\CCC(O)=O)=C/C#N Amb24053667 [0,0,1,0,0,0|2,0,1]=4 948 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [0,0,1,0,0,0|2,0,1]=4 949 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [0,0,1,0,0,0|3,0,0]=4 950 B9R0.48 [N-]=[N+]=NC(=O)CCC(O)=O Amb25690420 [0,0,1,0,0,0|2,0,1]=4 951 B11R2.11 O=C1CC(C1)[n]2ccc[n]2 Amb25199247 [0,0,0,1,0,0|3,0,0]=4 952 B11R2.11 O=C1CC(C1)c2[n]cc[s]2 Amb25704989 [0,0,0,1,0,0|3,0,0]=4 953 B11R2.11 O=C1CC(C1)c2ccc[s]2 Amb25162176 [0,0,0,1,0,0|3,0,0]=4 954 B11R2.11 O=C1CC(C1)c2cco[n]2 Amb24707048 [0,0,0,1,0,0|3,0,0]=4 955 B11R2.11 O=C1CC(N1)c2[n]cc[s]2 Amb25314640 [0,0,0,1,0,0|3,0,0]=4 956 B11R2.11 O=C1CC(N1)c2cc[s]c2 Amb24376718 [0,0,0,1,0,0|3,0,0]=4 957 B11R2.11 O=C1CC(N1)c2ccc[s]2 Amb25185121 [0,0,0,1,0,0|3,0,0]=4 958 B11R2.36 CN1Cc2[nH]c[n]c2CC1 Amb22491166 [0,0,0,1,0,0|3,0,0]=4 959 B11R2.36 CN1Cc2[nH]c[n]c2CC1 Amb22900783 [0,0,0,1,0,0|3,0,0]=4 960 B11R2.36 O=C1C=Cc2[n]c[nH]c2N1 Amb22490310 [0,0,0,1,0,0|1,0,2]=4 961 B11R2.36 O=C1CCN2C=CNC2=C1 Amb24070858 [0,0,0,1,0,0|3,0,0]=4 962 B11R2.36 O=C1CC[n]2[n]c[n]c2N1 Amb23594530 [0,0,0,1,0,0|2,0,1]=4 963 B11R2.36 O=C1CC[n]2[n]ccc2N1 Amb20481135 [0,0,0,1,0,0|3,0,0]=4 964 B11R2.36 O=C1CCc2c(C1)cc[nH]2 Amb13883727 [0,0,0,1,0,0|2,0,1]=4 965 B11R2.36 O=C1CCc2c[n][nH]c2N1 Amb25268692 [0,0,0,1,0,0|3,0,0]=4 966 B11R2.36 O=C1CCc2oc[n]c2N1 Amb25046382 [0,0,0,1,0,0|2,0,1]=4 967 B11R2.36 O=C1CSc2[n]c[s]c2N1 Amb25252989 [0,0,0,1,0,0|3,0,0]=4 968 B11R2.36 O=C1Cc2[nH][n]cc2CC1 Amb25288875 [0,0,0,1,0,0|3,0,0]=4 969 B11R2.36 O=C1Cc2[nH]c[n]c2CC1 Amb22001580 [0,0,0,1,0,0|1,0,0]=2 970 B11R2.36 O=C1Cc2[n]c[s]c2CC1 Amb24694323 [0,0,0,1,0,0|2,0,1]=4 971 B11R2.36 O=C1Cc2[s]c[n]c2CC1 Amb22756163 [0,0,0,1,0,0|2,0,0]=3 972 B11R2.36 O=C1Cc2[s]ccc2CC1 Amb24707052 [0,0,0,1,0,0|3,0,0]=4 973 B11R2.36 O=C1Cc2c[s]cc2CC1 Amb25145556 [0,0,0,1,0,0|3,0,0]=4 974 B11R2.36 O=C1Cc2cocc2CC1 Amb24377986 [0,0,0,1,0,0|3,0,0]=4 975 B11R2.36 O=C1NCc2[n][n][nH]c2N1 Amb24478997 [0,0,0,1,0,0|3,0,0]=4 976 B11R2.36 OC1Cc2[nH][n][n]c2CC1 Amb18832054 [0,0,0,1,0,0|2,0,1]=4 977 B11R2.36 OC1Cc2[nH]c[n]c2CC1 Amb18832192 [0,0,0,1,0,0|1,0,1]=3 978 B11R2.36 OC1Cc2[s]c[n]c2CC1 Amb24654204 [0,0,0,1,0,0|2,0,1]=4 979 B11R2.36 ON1Cc2[s]c[n]c2CC1 Amb24071757 [0,0,0,1,0,0|3,0,0]=4 980 B9R1.13 C=C(O)CC1C=CC=N1 Amb25162740 [0,0,0,0,1,0|2,0,1]=4 981 B9R1.13 CC(=O)CC1=CC=C[SiH2]1 Amb25729101 [0,0,0,0,1,0|3,0,0]=4 982 B9R1.13 CC(=O)C[n]1c[n]c[n]1 Amb22284176 [0,0,0,0,1,0|2,0,1]=4 983 B9R1.13 CC(=O)C[n]1ccc[n]1 Amb21988437 [0,0,0,0,1,0|3,0,0]=4 984 B9R1.13 CC(=O)Cc1[n][n][nH][n]1 Amb24678027 [0,0,0,0,1,0|3,0,0]=4 985 B9R1.13 CC(=O)Cc1[n]c[s][n]1 Amb18202586 [0,0,0,0,1,0|3,0,0]=4 986 B9R1.13 CC(=O)Cc1[n]co[n]1 Amb25758852 [0,0,0,0,1,0|3,0,0]=4 987 B9R1.13 CC(=O)Cc1c[nH]c[n]1 Amb25832036 [0,0,0,0,1,0|1,0,0]=2 988 B9R1.13 CC(=O)Cc1cc[nH]c1 Amb18893399 [0,0,0,0,1,0|2,0,0]=3 989 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|3,0,0]=4 990 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|3,0,0]=4 991 B9R1.13 CC(=O)Cn1cncn1 Amb1102646 [0,0,0,0,1,0|2,0,1]=4 992 B9R1.13 CC(=O)Oc1c[nH]c[n]1 Amb24708608 [0,0,0,0,1,0|2,0,0]=3 993 B9R1.13 CC(=O)Oc1cc[nH]c1 Amb24476976 [0,0,0,0,1,0|3,0,0]=4 994 B9R1.13 CC(Cl)Cc1c[nH]c[n]1 Amb24547857 [0,0,0,0,1,0|2,0,1]=4 995 B9R1.13 CC(N)Cc1c[nH]c[n]1 Amb18960260 [0,0,0,0,1,0|2,0,1]=4 996 B9R1.13 CC(O)Cc1c[nH]c[n]1 Amb25259667 [0,0,0,0,1,0|1,0,1]=3 997 B9R1.13 C[C@@H](N)Cc1c[nH]c[n]1 Amb22350311 [0,0,0,0,1,0|2,0,1]=4 998 B9R1.13 C[C@H](Cc1c[nH]cn1)N Amb17617472 [0,0,0,0,1,0|2,0,1]=4 999 B9R1.13 NC(=N)Cc1c[s]c[n]1 Amb25846372 [0,0,0,0,1,0|3,0,0]=4 1000 B9R1.13 NC(=N)Nc1c[nH]c[n]1 Amb25041641 [0,0,0,0,1,0|3,0,0]=4 1001 B9R1.13 NC(=O)Cc1[n]cc[s]1 Amb23440630 [0,0,0,0,1,0|3,0,0]=4 1002 B9R1.13 NC(=O)Cc1c[nH][n][n]1 Amb23570286 [0,0,0,0,1,0|2,0,0]=3 1003 B9R1.13 NC(=O)Cc1c[nH]c[n]1 Amb24746799 [0,0,0,0,1,0|1,0,0]=2 1004 B9R1.13 NC(=O)Cc1c[n]c[s]1 Amb22372056 [0,0,0,0,1,0|2,0,1]=4 1005 B9R1.13 NC(=O)Cc1cc[nH]c1 Amb18243493 [0,0,0,0,1,0|2,0,0]=3 1006 B9R1.13 NC(=O)Cc1ccc[nH]1 Amb22886650 [0,0,0,0,1,0|2,0,1]=4 1007 B9R1.13 NC(=O)Cc1ccco1 Amb24534382 [0,0,0,0,1,0|3,0,0]=4 1008 B9R1.13 NC(=O)Cc1cco[n]1 Amb23440839 [0,0,0,0,1,0|3,0,0]=4 1009 B9R1.13 NC(=O)Cc1ncn[nH]1 Amb10669544 [0,0,0,0,1,0|2,0,1]=4 1010 B9R1.13 NC(=O)Cn1cccn1 Amb10609663 [0,0,0,0,1,0|3,0,0]=4 1011 B9R1.13 NC(=O)Nc1c[nH]c[n]1 Amb24646803 [0,0,0,0,1,0|2,0,0]=3 1012 B9R1.13 NC(=O)Nc1coc[n]1 Amb25072216 [0,0,0,0,1,0|3,0,0]=4 1013 B9R1.13 NC(=S)Cc1c[nH][n][n]1 Amb23512239 [0,0,0,0,1,0|2,1,0]=4 1014 B9R1.13 NC(=S)Cc1c[nH]c[n]1 Amb25836964 [0,0,0,0,1,0|1,1,0]=3 1015 B9R1.13 NC(=S)Cc1c[s]c[n]1 Amb19148544 [0,0,0,0,1,0|2,1,0]=4 1016 B9R1.13 O=C(Cl)C[n]1ccc[n]1 Amb24340282 [0,0,0,0,1,0|3,0,0]=4 1017 B9R1.13 O=C(Cl)Cc1c[nH]c[n]1 Amb25146205 [0,0,0,0,1,0|1,0,0]=2 1018 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|3,0,0]=4 1019 B9R1.13 O=C(Cn1cccn1)[OH2+] Amb10552495 [0,0,0,0,1,0|2,0,1]=4 1020 B9R1.13 OC(=O)CC1=CCCO1 Amb24639240 [0,0,0,0,1,0|2,0,1]=4 1021 B9R1.13 OC(=O)CC=1CCCC1 Amb18642404 [0,0,0,0,1,0|2,0,1]=4 1022 B9R1.13 OC(=O)CC=1CCOC1 Amb23538473 [0,0,0,0,1,0|2,0,1]=4 1023 B9R1.13 OC(=O)CN1CNC=N1 Amb24527920 [0,0,0,0,1,0|1,0,1]=3 1024 B9R1.13 OC(=O)Cc1[cH-]ccc1 Amb24122585 [0,0,0,0,1,0|2,0,0]=3 1025 B9R1.13 OC(=O)Cc1[nH][n]c[n]1 Amb18222494 [0,0,0,0,1,0|1,0,1]=3 1026 B9R1.13 OC(=O)Cc1[nH][n]c[n]1 Amb22498751 [0,0,0,0,1,0|1,0,1]=3 1027 B9R1.13 OC(=O)Cc1[nH]cc[n]1 Amb22750530 [0,0,0,0,1,0|2,0,0]=3 1028 B9R1.13 OC(=O)Cc1[n][n]co1 Amb22753920 [0,0,0,0,1,0|2,0,1]=4 1029 B9R1.13 OC(=O)Cc1[n]c[n][s]1 Amb18831517 [0,0,0,0,1,0|1,0,1]=3 1030 B9R1.13 OC(=O)Cc1[n]c[s][n]1 Amb18202411 [0,0,0,0,1,0|2,0,0]=3 1031 B9R1.13 OC(=O)Cc1c[nH]c[n]1 Amb20670251 [0,0,0,0,1,0|0,0,0]=1 1032 B9R1.13 OC(=O)Cc1c[n][n][nH]1 Amb18203289 [0,0,0,0,1,0|1,0,2]=4 1033 B9R1.13 OC(=O)Cc1c[n][s]c1 Amb18831589 [0,0,0,0,1,0|2,0,1]=4 1034 B9R1.13 OC(=O)Cc1c[n]o[n]1 Amb18832655 [0,0,0,0,1,0|1,0,1]=3 1035 B9R1.13 OC(=O)Cc1cc[nH]c1 Amb18062951 [0,0,0,0,1,0|1,0,0]=2 1036 B9R1.13 OC(=O)Cc1cc[n][nH]1 Amb19243677 [0,0,0,0,1,0|2,0,1]=4 1037 B9R1.13 OC(=O)Cc1cc[n][s]1 Amb18831590 [0,0,0,0,1,0|2,0,1]=4 1038 B9R1.13 OC(=O)Cc1cc[s][n]1 Amb18831591 [0,0,0,0,1,0|2,0,0]=3 1039 B9R1.13 OC(=O)Cc1cscc1 Amb1151879 [0,0,0,0,1,0|2,0,0]=3 1040 B9R1.13 OC(=O)Cc1cscn1 Amb17039671 [0,0,0,0,1,0|1,0,0]=2 1041 B9R1.13 OC(=O)Cc1nnn[nH]1 Amb1084251 [0,0,0,0,1,0|2,0,1]=4 1042 B9R1.13 OC(=O)Cn1cccc1 Amb1124868 [0,0,0,0,1,0|3,0,0]=4 1043 B9R1.13 OC(=O)Cn1cccn1 Amb1157167 [0,0,0,0,1,0|2,0,0]=3 1044 B9R1.13 OC(=O)Cn1ccnn1 Amb10669511 [0,0,0,0,1,0|3,0,0]=4 1045 B9R1.13 OC(=O)Cn1cncn1 Amb10552411 [0,0,0,0,1,0|1,0,1]=3 1046 B9R1.13 OC(=O)Cn1cncn1 Amb1152056 [0,0,0,0,1,0|1,0,1]=3 1047 B9R1.13 OC(=O)Cn1cnnn1 Amb1090115 [0,0,0,0,1,0|2,0,1]=4 1048 B9R1.13 OC(=O)Cn1nncn1 Amb15701228 [0,0,0,0,1,0|2,0,1]=4 1049 B9R1.13 OC(=O)Sc1ccco1 Amb24695916 [0,0,0,0,1,0|3,0,0]=4 1050 B9R1.13 O[13C](=O)[13CH2][15n]1c[15n]cc1 Amb17616038 [0,0,0,0,1,0|2,0,1]=4 1051 B9R1.13 [O-]C(=O)Cc1c[nH]cn1 Amb10843901 [0,0,0,0,1,0|0,0,1]=2 1052 B9R1.84 CC(=O)CCC=1CCC1 Amb25358814 [0,0,0,0,1,0|2,0,1]=4 1053 B11R1.91 CC(=O)CCc1[n]ccc[n]1 Amb24726140 [0,0,0,0,0,1|2,0,0]=3 1054 B11R1.91 CC(=O)CCc1c[n]cc[n]1 Amb25307907 [0,0,0,0,0,1|1,0,1]=3 1055 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|2,0,0]=3 1056 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|2,0,0]=3 1057 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|2,0,1]=4 1058 B11R1.91 CC(=O)CSc1cc[n]c[n]1 Amb24477647 [0,0,0,0,0,1|2,0,1]=4 1059 B11R1.91 CC(=O)CSc1ccc[n][n]1 Amb24371884 [0,0,0,0,0,1|3,0,0]=4 1060 B11R1.91 CC(=O)NCc1[n]ccc[n]1 Amb24704246 [0,0,0,0,0,1|3,0,0]=4 1061 B11R1.91 CC(=O)NCc1c[n]c[n]c1 Amb22727960 [0,0,0,0,0,1|2,0,1]=4 1062 B11R1.91 CC(=O)NCc1c[n]cc[n]1 Amb25311243 [0,0,0,0,0,1|2,0,1]=4 1063 B11R1.91 CC(=O)OCc1[n]ccc[n]1 Amb22756932 [0,0,0,0,0,1|3,0,0]=4 1064 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [0,0,0,0,0,1|3,0,0]=4 1065 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [0,0,0,0,0,1|3,0,0]=4 1066 B11R1.91 CC(CCc1ccccn1)O Amb17507263 [0,0,0,0,0,1|2,0,1]=4 1067 B11R1.91 CC(CCc1cccnc1)O Amb17507264 [0,0,0,0,0,1|2,0,1]=4 1068 B11R1.91 NC(=N)CCc1cccc[n]1 Amb22304703 [0,0,0,0,0,1|3,0,0]=4 1069 B11R1.91 NC(=O)CCc1[n]ccc[n]1 Amb24355296 [0,0,0,0,0,1|2,0,0]=3 1070 B11R1.91 NC(=O)CCc1c[n]c[n]c1 Amb23571326 [0,0,0,0,0,1|1,0,1]=3 1071 B11R1.91 NC(=O)CCc1c[n]cc[n]1 Amb25321905 [0,0,0,0,0,1|1,0,1]=3 1072 B11R1.91 NC(=O)CCc1ccc[n][n]1 Amb25061349 [0,0,0,0,0,1|2,0,0]=3 1073 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,0,1|2,0,0]=3 1074 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,0,1|2,0,1]=4 1075 B11R1.91 NC(=O)CNc1cc[n]c[n]1 Amb18973884 [0,0,0,0,0,1|2,0,1]=4 1076 B11R1.91 NC(=O)CNc1ccc[n][n]1 Amb18298645 [0,0,0,0,0,1|3,0,0]=4 1077 B11R1.91 NC(=O)CSc1ccccn1 Amb1292665 [0,0,0,0,0,1|3,0,0]=4 1078 B11R1.91 NC(=O)NCc1cc[n]c[n]1 Amb24467215 [0,0,0,0,0,1|2,0,1]=4 1079 B11R1.91 NC(=O)NCc1ccccn1 Amb1050832 [0,0,0,0,0,1|3,0,0]=4 1080 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [0,0,0,0,0,1|3,0,0]=4 1081 B11R1.91 NC(=S)CCc1cccnc1 Amb17232623 [0,0,0,0,0,1|2,1,0]=4 1082 B11R1.91 O=C(Cl)CCc1ccc[n]c1 Amb24077445 [0,0,0,0,0,1|2,0,0]=3 1083 B11R1.91 O=C(Cl)CSc1cccc[n]1 Amb19650937 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.91 O=C(Cl)CSc1cccc[n]1 Amb21959947 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.91 O=C(Cl)OCc1ccc[n]c1 Amb25852784 [0,0,0,0,0,1|3,0,0]=4 1086 B11R1.91 O=C(S)CCc1ccccc1 Amb24733716 [0,0,0,0,0,1|2,1,0]=4 1087 B11R1.91 OB(O)CCc1c[n]ccc1 Amb25259201 [0,0,0,0,0,1|2,0,1]=4 1088 B11R1.91 OB(O)CCc1cccc[n]1 Amb24392967 [0,0,0,0,0,1|2,0,1]=4 1089 B11R1.91 OC(=O)C#Cc1c[n]cc[n]1 Amb25315912 [0,0,0,0,0,1|0,0,3]=4 1090 B11R1.91 OC(=O)C#Cc1c[n]ccc1 Amb20673066 [0,0,0,0,0,1|1,0,2]=4 1091 B11R1.91 OC(=O)C#Cc1ccccn1 Amb16233314 [0,0,0,0,0,1|1,0,2]=4 1092 B11R1.91 OC(=O)C=Cc1c[n]cc[n]1 Amb24082749 [0,0,0,0,0,1|0,0,3]=4 1093 B11R1.91 OC(=O)CCC1=NCCCO1 Amb25252999 [0,0,0,0,0,1|1,0,2]=4 1094 B11R1.91 OC(=O)CCC=1CCCCC1 Amb25775024 [0,0,0,0,0,1|2,0,1]=4 1095 B11R1.91 OC(=O)CCC=1CCOCC1 Amb25253618 [0,0,0,0,0,1|2,0,1]=4 1096 B11R1.91 OC(=O)CCC=1CCSCC1 Amb24518922 [0,0,0,0,0,1|2,0,1]=4 1097 B11R1.91 OC(=O)CCC=1COCCC1 Amb25138754 [0,0,0,0,0,1|2,0,1]=4 1098 B11R1.91 OC(=O)CCC=1NCCCN1 Amb25148116 [0,0,0,0,0,1|1,0,2]=4 1099 B11R1.91 OC(=O)CCc1[n][n]cc[n]1 Amb18201164 [0,0,0,0,0,1|1,0,1]=3 1100 B11R1.91 OC(=O)CCc1[n]c[n]c[n]1 Amb18862491 [0,0,0,0,0,1|0,0,1]=2 1101 B11R1.91 OC(=O)CCc1c[n][n]c[n]1 Amb18201165 [0,0,0,0,0,1|0,0,1]=2 1102 B11R1.91 OC(=O)CCc1c[n]c[n]c1 Amb18201449 [0,0,0,0,0,1|0,0,1]=2 1103 B11R1.91 OC(=O)CCc1cc[n][n]c1 Amb22499259 [0,0,0,0,0,1|1,0,1]=3 1104 B11R1.91 OC(=O)CCc1ccc[n][n]1 Amb23592184 [0,0,0,0,0,1|1,0,0]=2 1105 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [0,0,0,0,0,1|2,0,0]=3 1106 B11R1.91 OC(=O)CCc1ccccn1 Amb1102533 [0,0,0,0,0,1|1,0,0]=2 1107 B11R1.91 OC(=O)CCc1cccnc1 Amb1214870 [0,0,0,0,0,1|1,0,0]=2 1108 B11R1.91 OC(=O)CCc1ccncc1 Amb1090849 [0,0,0,0,0,1|1,0,1]=3 1109 B11R1.91 OC(=O)CNC=1CC=CCC1 Amb21929324 [0,0,0,0,0,1|3,0,0]=4 1110 B11R1.91 OC(=O)CNc1c[n]c[n]c1 Amb18933571 [0,0,0,0,0,1|1,0,1]=3 1111 B11R1.91 OC(=O)CNc1cc[n]c[n]1 Amb18973871 [0,0,0,0,0,1|1,0,1]=3 1112 B11R1.91 OC(=O)CNc1cc[n]cc1 Amb21955325 [0,0,0,0,0,1|2,0,1]=4 1113 B11R1.91 OC(=O)CNc1ccc[n]c1 Amb22035240 [0,0,0,0,0,1|2,0,0]=3 1114 B11R1.91 OC(=O)CNc1cccc[nH+]1 Amb10564534 [0,0,0,0,0,1|2,0,1]=4 1115 B11R1.91 OC(=O)CNc1cccc[n]1 Amb22495404 [0,0,0,0,0,1|2,0,0]=3 1116 B11R1.91 OC(=O)CNc1cccnc1 Amb17593781 [0,0,0,0,0,1|2,0,0]=3 1117 B11R1.91 OC(=O)CNc1ncccn1 Amb2372087 [0,0,0,0,0,1|2,0,0]=3 1118 B11R1.91 OC(=O)COc1c[n]ccc1 Amb22738612 [0,0,0,0,0,1|2,0,0]=3 1119 B11R1.91 OC(=O)COc1cc[n]cc1 Amb18125520 [0,0,0,0,0,1|2,0,1]=4 1120 B11R1.91 OC(=O)COc1ccc[nH+]c1 Amb22370885 [0,0,0,0,0,1|2,0,1]=4 1121 B11R1.91 OC(=O)COc1ccccc1 Amb1213413 [0,0,0,0,0,1|3,0,0]=4 1122 B11R1.91 OC(=O)COc1ccccc1 Amb22274444 [0,0,0,0,0,1|3,0,0]=4 1123 B11R1.91 OC(=O)CPc1ccccc1 Amb24487808 [0,0,0,0,0,1|3,0,0]=4 1124 B11R1.91 OC(=O)CSc1[n][n]c[n][n]1 Amb18126870 [0,0,0,0,0,1|2,0,1]=4 1125 B11R1.91 OC(=O)CSc1[n][n]cc[n]1 Amb24433355 [0,0,0,0,0,1|2,0,1]=4 1126 B11R1.91 OC(=O)CSc1cc[n][n]c1 Amb24670204 [0,0,0,0,0,1|2,0,1]=4 1127 B11R1.91 OC(=O)CSc1cc[n]cc1 Amb24053001 [0,0,0,0,0,1|2,0,1]=4 1128 B11R1.91 OC(=O)CSc1ccc[n]c1 Amb24692785 [0,0,0,0,0,1|2,0,0]=3 1129 B11R1.91 OC(=O)CSc1ccccc1 Amb1038999 [0,0,0,0,0,1|3,0,0]=4 1130 B11R1.91 OC(=O)CSc1ccccn1 Amb1130490 [0,0,0,0,0,1|2,0,0]=3 1131 B11R1.91 OC(=O)CSc1ncccn1 Amb1625763 [0,0,0,0,0,1|2,0,0]=3 1132 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [0,0,0,0,0,1|3,0,0]=4 1133 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [0,0,0,0,0,1|2,0,0]=3 1134 B11R1.91 OC(=O)\C=C/c1[n]ccc[n]1 Amb25830337 [0,0,0,0,0,1|1,0,2]=4 1135 B11R1.91 OC(=O)\C=C/c1ccc[n]c1 Amb25378742 [0,0,0,0,0,1|1,0,2]=4 1136 B11R1.91 OC(=O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,0,1|1,0,2]=4 1137 B11R1.91 OC(=O)\C=C\c1cc[n]c[n]1 Amb25337419 [0,0,0,0,0,1|0,0,3]=4 1138 B11R1.91 OC(=O)\C=C\c1ccc[n][n]1 Amb18125070 [0,0,0,0,0,1|1,0,2]=4 1139 B11R1.91 OC(=O)\C=C\c1cnccn1 Amb10609139 [0,0,0,0,0,1|0,0,3]=4 1140 B11R1.91 OC(=O)\C=C\c1ncccn1 Amb17593721 [0,0,0,0,0,1|1,0,2]=4 1141 B11R1.91 OS(=O)CCc1cc[n]cc1 Amb24546017 [0,0,0,0,0,1|2,0,1]=4 1142 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.91 [O-]C(=O)CCc1ccccc1 Amb22233349 [0,0,0,0,0,1|2,0,1]=4 1144 B11R1.91 [O-][N+](=O)CCc1ccccn1 Amb17399924 [0,0,0,0,0,1|2,0,1]=4 1145 B11R1.91 [O-][N+](=O)CCc1cccnc1 Amb17399925 [0,0,0,0,0,1|2,0,1]=4 1146 B11R1.172 C=C(Br)CNCc1cc[nH]c1 Amb25382026 [0,0,0,0,0,1|3,0,0]=4 1147 B11R1.172 CC(=C)CNCc1cc[nH]c1 Amb24755291 [0,0,0,0,0,1|3,0,0]=4 1148 B11R1.172 CC(=O)CCCc1c[n][s][n]1 Amb24764488 [0,0,0,0,0,1|2,0,1]=4 1149 B11R1.172 CC(=O)CCCc1c[n]c[s]1 Amb25379875 [0,0,0,0,0,1|2,0,1]=4 1150 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|3,0,0]=4 1151 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|3,0,0]=4 1152 B11R1.172 CC(=O)CCNc1[n]cc[s]1 Amb24422960 [0,0,0,0,0,1|3,0,0]=4 1153 B11R1.172 CC(=O)CCSc1[n]c[n][s]1 Amb25382441 [0,0,0,0,0,1|2,0,1]=4 1154 B11R1.172 CC(=O)CCSc1[n]cc[s]1 Amb18317042 [0,0,0,0,0,1|3,0,0]=4 1155 B11R1.172 CC(=O)COCc1ccc[s]1 Amb18185636 [0,0,0,0,0,1|3,0,0]=4 1156 B11R1.172 CC(=O)COCc1ccco1 Amb18182896 [0,0,0,0,0,1|3,0,0]=4 1157 B11R1.172 CC(=O)NCC[n]1ccc[n]1 Amb23466811 [0,0,0,0,0,1|3,0,0]=4 1158 B11R1.172 CC(=O)NCCc1[nH][n]c[n]1 Amb25342907 [0,0,0,0,0,1|2,0,1]=4 1159 B11R1.172 CC(=O)NCCc1[n]c[n]o1 Amb25684118 [0,0,0,0,0,1|2,0,1]=4 1160 B11R1.172 CC(=O)NCCc1[n]cc[s]1 Amb24619343 [0,0,0,0,0,1|3,0,0]=4 1161 B11R1.172 CC(=O)NCCc1[n]co[n]1 Amb24626940 [0,0,0,0,0,1|3,0,0]=4 1162 B11R1.172 CC(=O)NCCc1c[nH][n]c1 Amb25711896 [0,0,0,0,0,1|3,0,0]=4 1163 B11R1.172 CC(=O)NCCc1c[nH]cn1 Amb10567497 [0,0,0,0,0,1|1,0,0]=2 1164 B11R1.172 CC(=O)NCCc1cco[n]1 Amb25099237 [0,0,0,0,0,1|3,0,0]=4 1165 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,0,1|3,0,0]=4 1166 B11R1.172 CC(=O)NCCc1cscc1 Amb13821361 [0,0,0,0,0,1|3,0,0]=4 1167 B11R1.172 CC(=O)NOCc1c[s]c[n]1 Amb25107404 [0,0,0,0,0,1|3,0,0]=4 1168 B11R1.172 CC(=O)OCC[n]1c[n]c[n]1 Amb24756185 [0,0,0,0,0,1|2,0,1]=4 1169 B11R1.172 CC(=O)OCC[n]1ccc[n]1 Amb24756183 [0,0,0,0,0,1|3,0,0]=4 1170 B11R1.172 CC(=O)OCCc1[n]cc[s]1 Amb24756182 [0,0,0,0,0,1|3,0,0]=4 1171 B11R1.172 CC(=O)OCCc1c[nH][n][n]1 Amb24756178 [0,0,0,0,0,1|2,0,0]=3 1172 B11R1.172 CC(=O)OCCc1c[nH][n]c1 Amb24756181 [0,0,0,0,0,1|3,0,0]=4 1173 B11R1.172 CC(=O)OCCc1c[n]c[nH]1 Amb25385267 [0,0,0,0,0,1|1,0,2]=4 1174 B11R1.172 CC(=O)OCCc1cc[s]c1 Amb24756180 [0,0,0,0,0,1|3,0,0]=4 1175 B11R1.172 CC(=O)OCCc1ccc[s]1 Amb24756179 [0,0,0,0,0,1|3,0,0]=4 1176 B11R1.172 CC(=O)SCCc1c[nH]c[n]1 Amb25385268 [0,0,0,0,0,1|1,0,0]=2 1177 B11R1.172 CC(C)COCc1c[nH]c[n]1 Amb25386146 [0,0,0,0,0,1|2,0,1]=4 1178 B11R1.172 CC(O)CNCc1c[nH]cc1 Amb18224366 [0,0,0,0,0,1|2,0,1]=4 1179 B11R1.172 CC(O)CNCc1c[s]c[n]1 Amb18305325 [0,0,0,0,0,1|2,0,1]=4 1180 B11R1.172 C[C@@H](O)CNCc1c[nH]cc1 Amb24761767 [0,0,0,0,0,1|2,0,1]=4 1181 B11R1.172 NC(=N)NCCc1c[s]c[n]1 Amb24687207 [0,0,0,0,0,1|3,0,0]=4 1182 B11R1.172 NC(=N)SCCc1[n]c[nH][n]1 Amb24764820 [0,0,0,0,0,1|3,0,0]=4 1183 B11R1.172 NC(=N)SCCc1c[nH]c[n]1 Amb22349803 [0,0,0,0,0,1|2,0,0]=3 1184 B11R1.172 NC(=N)SCCc1c[nH]c[n]1 Amb23594536 [0,0,0,0,0,1|2,0,0]=3 1185 B11R1.172 NC(=O)CCCc1c[nH][n][n]1 Amb25382617 [0,0,0,0,0,1|2,0,0]=3 1186 B11R1.172 NC(=O)CCSc1[nH][n]c[n]1 Amb18185721 [0,0,0,0,0,1|2,0,1]=4 1187 B11R1.172 NC(=O)CCSc1[n]c[n][s]1 Amb25382431 [0,0,0,0,0,1|2,0,1]=4 1188 B11R1.172 NC(=O)CCSc1[n]cc[s]1 Amb18317110 [0,0,0,0,0,1|3,0,0]=4 1189 B11R1.172 NC(=O)CCSc1ccc[s]1 Amb19070858 [0,0,0,0,0,1|3,0,0]=4 1190 B11R1.172 NC(=O)CNCc1[nH]cc[n]1 Amb18315741 [0,0,0,0,0,1|3,0,0]=4 1191 B11R1.172 NC(=O)CNCc1[n]cc[s]1 Amb24762214 [0,0,0,0,0,1|3,0,0]=4 1192 B11R1.172 NC(=O)CNCc1c[nH][n]c1 Amb25382619 [0,0,0,0,0,1|3,0,0]=4 1193 B11R1.172 NC(=O)CNCc1c[n][s][n]1 Amb24765788 [0,0,0,0,0,1|2,0,1]=4 1194 B11R1.172 NC(=O)CNCc1c[n]c[nH]1 Amb18181868 [0,0,0,0,0,1|1,0,2]=4 1195 B11R1.172 NC(=O)CNCc1c[n]c[s]1 Amb18313859 [0,0,0,0,0,1|2,0,1]=4 1196 B11R1.172 NC(=O)CNCc1c[n]co1 Amb18200483 [0,0,0,0,0,1|2,0,1]=4 1197 B11R1.172 NC(=O)CNCc1c[s]c[n]1 Amb18315706 [0,0,0,0,0,1|2,0,0]=3 1198 B11R1.172 NC(=O)CNCc1ccc[nH]1 Amb19035076 [0,0,0,0,0,1|2,0,1]=4 1199 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|3,0,0]=4 1200 B11R1.172 NC(=O)CNCc1cccs1 Amb1139535 [0,0,0,0,0,1|3,0,0]=4 1201 B11R1.172 NC(=O)CNCc1cco[n]1 Amb18830907 [0,0,0,0,0,1|3,0,0]=4 1202 B11R1.172 NC(=O)CNCc1ccoc1 Amb25379962 [0,0,0,0,0,1|3,0,0]=4 1203 B11R1.172 NC(=O)CNCc1coc[n]1 Amb25382620 [0,0,0,0,0,1|2,0,0]=3 1204 B11R1.172 NC(=O)CNCc1cscc1 Amb1128430 [0,0,0,0,0,1|3,0,0]=4 1205 B11R1.172 NC(=O)COCc1[nH]cc[n]1 Amb24750945 [0,0,0,0,0,1|3,0,0]=4 1206 B11R1.172 NC(=O)COCc1ccc[s]1 Amb18806841 [0,0,0,0,0,1|3,0,0]=4 1207 B11R1.172 NC(=O)COCc1ccco1 Amb18182960 [0,0,0,0,0,1|3,0,0]=4 1208 B11R1.172 NC(=O)CSCc1[nH]cc[n]1 Amb24751201 [0,0,0,0,0,1|3,0,0]=4 1209 B11R1.172 NC(=O)CSCc1c[s]c[n]1 Amb24751199 [0,0,0,0,0,1|2,0,0]=3 1210 B11R1.172 NC(=O)CSCc1cc[s]c1 Amb24751198 [0,0,0,0,0,1|3,0,0]=4 1211 B11R1.172 NC(=O)CSCc1ccco1 Amb18806883 [0,0,0,0,0,1|3,0,0]=4 1212 B11R1.172 NC(=O)NCC[n]1ccc[n]1 Amb18179512 [0,0,0,0,0,1|3,0,0]=4 1213 B11R1.172 NC(=O)NCCc1[nH][n]c[n]1 Amb24693408 [0,0,0,0,0,1|2,0,1]=4 1214 B11R1.172 NC(=O)NCCc1[nH]cc[n]1 Amb25331083 [0,0,0,0,0,1|3,0,0]=4 1215 B11R1.172 NC(=O)NCCc1[n]cc[s]1 Amb24477605 [0,0,0,0,0,1|3,0,0]=4 1216 B11R1.172 NC(=O)NCCc1[n]co[n]1 Amb25116761 [0,0,0,0,0,1|3,0,0]=4 1217 B11R1.172 NC(=O)NCCc1c[nH][n]c1 Amb25192655 [0,0,0,0,0,1|3,0,0]=4 1218 B11R1.172 NC(=O)NCCc1cc[s]c1 Amb18183590 [0,0,0,0,0,1|3,0,0]=4 1219 B11R1.172 NC(=O)NCCc1ccco1 Amb18182898 [0,0,0,0,0,1|3,0,0]=4 1220 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [0,0,0,0,0,1|3,0,0]=4 1221 B11R1.172 NC(=O)NOCc1c[s]c[n]1 Amb25689574 [0,0,0,0,0,1|3,0,0]=4 1222 B11R1.172 NC(=O)OCCc1[nH]cc[n]1 Amb24764779 [0,0,0,0,0,1|3,0,0]=4 1223 B11R1.172 O=C(Cl)CCSc1ccc[s]1 Amb24766295 [0,0,0,0,0,1|3,0,0]=4 1224 B11R1.172 OC(=O)C#CCc1ccc[s]1 Amb24644490 [0,0,0,0,0,1|2,0,1]=4 1225 B11R1.172 OC(=O)CC#Cc1ccc[s]1 Amb25069564 [0,0,0,0,0,1|2,0,1]=4 1226 B11R1.172 OC(=O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|2,0,1]=4 1227 B11R1.172 OC(=O)CCCC=1CCCC1 Amb18125777 [0,0,0,0,0,1|2,0,1]=4 1228 B11R1.172 OC(=O)CCC[n]1c[n]c[n]1 Amb22586679 [0,0,0,0,0,1|1,0,1]=3 1229 B11R1.172 OC(=O)CCC[n]1cc[n][n]1 Amb18255007 [0,0,0,0,0,1|3,0,0]=4 1230 B11R1.172 OC(=O)CCCc1[nH][n][n][n]1 Amb18862521 [0,0,0,0,0,1|2,0,1]=4 1231 B11R1.172 OC(=O)CCCc1[nH]cc[n]1 Amb18200818 [0,0,0,0,0,1|2,0,0]=3 1232 B11R1.172 OC(=O)CCCc1[n]c[nH][n]1 Amb18177387 [0,0,0,0,0,1|1,0,0]=2 1233 B11R1.172 OC(=O)CCCc1[n]c[n][s]1 Amb18198313 [0,0,0,0,0,1|1,0,1]=3 1234 B11R1.172 OC(=O)CCCc1[n]c[s][n]1 Amb18198314 [0,0,0,0,0,1|2,0,0]=3 1235 B11R1.172 OC(=O)CCCc1[n]cc[s]1 Amb18198612 [0,0,0,0,0,1|2,0,0]=3 1236 B11R1.172 OC(=O)CCCc1[n]cco1 Amb18559420 [0,0,0,0,0,1|2,0,0]=3 1237 B11R1.172 OC(=O)CCCc1[n]co[n]1 Amb18200268 [0,0,0,0,0,1|2,0,0]=3 1238 B11R1.172 OC(=O)CCCc1c[nH]nc1 Amb10607364 [0,0,0,0,0,1|2,0,0]=3 1239 B11R1.172 OC(=O)CCCc1c[n][s][n]1 Amb24764410 [0,0,0,0,0,1|1,0,1]=3 1240 B11R1.172 OC(=O)CCCc1c[n]c[nH]1 Amb18200801 [0,0,0,0,0,1|0,0,2]=3 1241 B11R1.172 OC(=O)CCCc1c[n]c[s]1 Amb18198607 [0,0,0,0,0,1|1,0,1]=3 1242 B11R1.172 OC(=O)CCCc1c[n]co1 Amb18200538 [0,0,0,0,0,1|1,0,1]=3 1243 B11R1.172 OC(=O)CCCc1c[n]oc1 Amb25382179 [0,0,0,0,0,1|2,0,1]=4 1244 B11R1.172 OC(=O)CCCc1c[s]c[n]1 Amb18062607 [0,0,0,0,0,1|1,0,0]=2 1245 B11R1.172 OC(=O)CCCc1cc[nH][n]1 Amb18200791 [0,0,0,0,0,1|2,0,0]=3 1246 B11R1.172 OC(=O)CCCc1cc[nH]c1 Amb18065398 [0,0,0,0,0,1|1,0,0]=2 1247 B11R1.172 OC(=O)CCCc1cc[n]o1 Amb18200545 [0,0,0,0,0,1|2,0,1]=4 1248 B11R1.172 OC(=O)CCCc1cc[s][n]1 Amb18198614 [0,0,0,0,0,1|2,0,0]=3 1249 B11R1.172 OC(=O)CCCc1cc[s]c1 Amb22000608 [0,0,0,0,0,1|2,0,0]=3 1250 B11R1.172 OC(=O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|2,0,0]=3 1251 B11R1.172 OC(=O)CCCc1cccs1 Amb1152340 [0,0,0,0,0,1|2,0,0]=3 1252 B11R1.172 OC(=O)CCCc1cco[n]1 Amb24062140 [0,0,0,0,0,1|2,0,0]=3 1253 B11R1.172 OC(=O)CCCc1ccoc1 Amb25385034 [0,0,0,0,0,1|2,0,0]=3 1254 B11R1.172 OC(=O)CCCc1coc[n]1 Amb18200521 [0,0,0,0,0,1|1,0,0]=2 1255 B11R1.172 OC(=O)CCCc1nnco1 Amb17138462 [0,0,0,0,0,1|2,0,1]=4 1256 B11R1.172 OC(=O)CCCn1cccc1 Amb1130872 [0,0,0,0,0,1|3,0,0]=4 1257 B11R1.172 OC(=O)CCCn1cncc1 Amb13949166 [0,0,0,0,0,1|2,0,1]=4 1258 B11R1.172 OC(=O)CCCn1cncn1 Amb1102653 [0,0,0,0,0,1|1,0,1]=3 1259 B11R1.172 OC(=O)CCCn1cnnn1 Amb10608461 [0,0,0,0,0,1|2,0,1]=4 1260 B11R1.172 OC(=O)CCNC1=NCCC1 Amb10976572 [0,0,0,0,0,1|1,0,2]=4 1261 B11R1.172 OC(=O)CCNC1=NCCS1 Amb25359682 [0,0,0,0,0,1|2,0,1]=4 1262 B11R1.172 OC(=O)CCN[n]1cccc1 Amb25379965 [0,0,0,0,0,1|3,0,0]=4 1263 B11R1.172 OC(=O)CCNc1[nH]c[n][n]1 Amb18604973 [0,0,0,0,0,1|1,0,2]=4 1264 B11R1.172 OC(=O)CCNc1[n][n]c[s]1 Amb18092003 [0,0,0,0,0,1|2,0,1]=4 1265 B11R1.172 OC(=O)CCNc1nccs1 Amb1110975 [0,0,0,0,0,1|2,0,0]=3 1266 B11R1.172 OC(=O)CCSC=1NCCN1 Amb21988841 [0,0,0,0,0,1|2,0,1]=4 1267 B11R1.172 OC(=O)CCSc1[n]cco1 Amb24751282 [0,0,0,0,0,1|2,0,0]=3 1268 B11R1.172 OC(=O)CCSc1ncn[nH]1 Amb1133501 [0,0,0,0,0,1|1,0,1]=3 1269 B11R1.172 OC(=O)CCSc1nnco1 Amb17138715 [0,0,0,0,0,1|2,0,1]=4 1270 B11R1.172 OC(=O)CCSc1nncs1 Amb1127011 [0,0,0,0,0,1|2,0,1]=4 1271 B11R1.172 OC(=O)CCSc1nnn[nH]1 Amb17073884 [0,0,0,0,0,1|2,0,1]=4 1272 B11R1.172 OC(=O)CNCC=1CCCC1 Amb24764276 [0,0,0,0,0,1|2,0,1]=4 1273 B11R1.172 OC(=O)CNCc1[nH][n][n][n]1 Amb25379750 [0,0,0,0,0,1|2,0,1]=4 1274 B11R1.172 OC(=O)CNCc1[nH]cc[n]1 Amb18307045 [0,0,0,0,0,1|2,0,0]=3 1275 B11R1.172 OC(=O)CNCc1[n]cc[s]1 Amb19648760 [0,0,0,0,0,1|2,0,0]=3 1276 B11R1.172 OC(=O)CNCc1c[nH][n]c1 Amb24762769 [0,0,0,0,0,1|2,0,0]=3 1277 B11R1.172 OC(=O)CNCc1c[n][s][n]1 Amb24764340 [0,0,0,0,0,1|1,0,1]=3 1278 B11R1.172 OC(=O)CNCc1c[n]c[nH]1 Amb18181943 [0,0,0,0,0,1|0,0,2]=3 1279 B11R1.172 OC(=O)CNCc1c[n]c[s]1 Amb18314219 [0,0,0,0,0,1|1,0,1]=3 1280 B11R1.172 OC(=O)CNCc1cc[nH]c1 Amb18243535 [0,0,0,0,0,1|1,0,0]=2 1281 B11R1.172 OC(=O)CNCc1ccc[nH]1 Amb18308340 [0,0,0,0,0,1|1,0,1]=3 1282 B11R1.172 OC(=O)COCC=1CCCC1 Amb24764554 [0,0,0,0,0,1|2,0,1]=4 1283 B11R1.172 OC(=O)COCc1[nH][n][n][n]1 Amb25379751 [0,0,0,0,0,1|2,0,1]=4 1284 B11R1.172 OC(=O)COCc1[n]c[nH][n]1 Amb18177495 [0,0,0,0,0,1|1,0,0]=2 1285 B11R1.172 OC(=O)COCc1[n]c[n]o1 Amb18306338 [0,0,0,0,0,1|1,0,1]=3 1286 B11R1.172 OC(=O)COCc1[n]cc[s]1 Amb23570603 [0,0,0,0,0,1|2,0,0]=3 1287 B11R1.172 OC(=O)COCc1c[n][s][n]1 Amb24764341 [0,0,0,0,0,1|1,0,1]=3 1288 B11R1.172 OC(=O)COCc1c[s]c[n]1 Amb24762009 [0,0,0,0,0,1|1,0,0]=2 1289 B11R1.172 OC(=O)COCc1ccc[s]1 Amb19015456 [0,0,0,0,0,1|2,0,0]=3 1290 B11R1.172 OC(=O)CSC[n]1[n]c[n][n]1 Amb25384998 [0,0,0,0,0,1|2,0,1]=4 1291 B11R1.172 OC(=O)CSC[n]1ccc[n]1 Amb25380100 [0,0,0,0,0,1|2,0,0]=3 1292 B11R1.172 OC(=O)CSCc1[nH][n][n][n]1 Amb25379753 [0,0,0,0,0,1|2,0,1]=4 1293 B11R1.172 OC(=O)CSCc1[nH]cc[n]1 Amb19373574 [0,0,0,0,0,1|2,0,0]=3 1294 B11R1.172 OC(=O)CSCc1c[n][s][n]1 Amb24764394 [0,0,0,0,0,1|1,0,1]=3 1295 B11R1.172 OC(=O)CSCc1c[s]c[n]1 Amb22088521 [0,0,0,0,0,1|1,0,0]=2 1296 B11R1.172 OC(=O)CSCc1ccoc1 Amb18647634 [0,0,0,0,0,1|2,0,0]=3 1297 B11R1.172 OC(=O)C\C=C\c1c[nH]c[n]1 Amb25081986 [0,0,0,0,0,1|0,0,1]=2 1298 B11R1.172 OC(=O)C\C=C\c1cc[nH]c1 Amb18065342 [0,0,0,0,0,1|1,0,1]=3 1299 B11R1.172 OC(=O)C\C=C\c1cc[s]c1 Amb25238418 [0,0,0,0,0,1|2,0,1]=4 1300 B11R1.172 OC(=O)C\C=C\c1ccc[nH]1 Amb25716959 [0,0,0,0,0,1|1,0,2]=4 1301 B11R1.172 OC(=O)C\C=C\c1ccc[s]1 Amb18563846 [0,0,0,0,0,1|2,0,1]=4 1302 B11R1.172 OC(=O)C\C=C\c1ccco1 Amb23441783 [0,0,0,0,0,1|2,0,1]=4 1303 B11R1.172 OC(=O)OCCc1cc[nH]c1 Amb24070008 [0,0,0,0,0,1|1,0,0]=2 1304 B11R1.172 OC(=O)\C=C\C[n]1c[n]c[n]1 Amb18296125 [0,0,0,0,0,1|1,0,2]=4 1305 B11R1.172 OC(=O)\C=C\C[n]1ccc[n]1 Amb18296131 [0,0,0,0,0,1|2,0,1]=4 1306 B11R1.172 OC(=O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|2,0,1]=4 1307 B11R1.172 SC(=S)NCCc1c[nH]c[n]1 Amb25690941 [0,0,0,0,0,1|0,2,0]=3 1308 B11R1.172 [O-]C(=O)COCc1ccco1 Amb10610157 [0,0,0,0,0,1|2,0,1]=4 1309 B8R0.4 C=C=C\C=C\CCC=O Amb25725906 [1,0,1,0,0,0|2,0,0]=4 1310 B8R0.4 C=CC\C=C\CCC=O Amb18642218 [1,0,1,0,0,0|2,0,0]=4 1311 B8R0.4 C\C=C/C=C/CCC=O Amb25770156 [1,0,1,0,0,0|2,0,0]=4 1312 B8R0.4 C\C=C\C=C\CCC=O Amb25363492 [1,0,1,0,0,0|2,0,0]=4 1313 B8R0.4 O=CCCC=C\C=C\Cl Amb25173006 [1,0,1,0,0,0|2,0,0]=4 1314 B8R0.4 O=CCC\C=C/C=C/Cl Amb24480011 [1,0,1,0,0,0|2,0,0]=4 1315 B8R0.7 C=CC\C=C\CC(O)=O Amb18642408 [1,0,1,0,0,0|1,0,1]=4 1316 B8R0.7 C=CNCCCC(O)=O Amb25146209 [1,0,1,0,0,0|0,0,2]=4 1317 B8R0.7 C=C\C=C\CCC(N)=O Amb24531499 [1,0,1,0,0,0|2,0,0]=4 1318 B8R0.7 CC(=O)CC\C=C/C=C Amb24736163 [1,0,1,0,0,0|2,0,0]=4 1319 B8R0.7 CC(=O)CC\C=C\C=C Amb24686743 [1,0,1,0,0,0|2,0,0]=4 1320 B8R0.7 CC\C=C/CCC(O)=O Amb25831265 [1,0,1,0,0,0|1,0,1]=4 1321 B8R0.7 CC\C=C\CCC(O)=O Amb18642608 [1,0,1,0,0,0|1,0,1]=4 1322 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [1,0,1,0,0,0|1,0,1]=4 1323 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [1,0,1,0,0,0|1,0,1]=4 1324 B8R0.7 NC\C=C\CCC(O)=O Amb24411351 [1,0,1,0,0,0|0,0,2]=4 1325 B8R0.7 OC(=O)CCCNC=O Amb18305404 [1,0,1,0,0,0|1,0,1]=4 1326 B8R0.7 OC(=O)CCC\C=C\Br Amb24518554 [1,0,1,0,0,0|1,0,1]=4 1327 B8R0.7 OC(=O)CCC\C=C\Cl Amb18644381 [1,0,1,0,0,0|1,0,1]=4 1328 B8R0.7 OC(=O)CC\C=C\C#C Amb10605297 [1,0,1,0,0,0|1,0,1]=4 1329 B8R0.7 OC(=O)CC\C=C\C=C Amb10605294 [1,0,1,0,0,0|1,0,0]=3 1330 B8R0.7 OC(=O)CC\C=C\CBr Amb24635578 [1,0,1,0,0,0|1,0,1]=4 1331 B8R0.7 OC(=O)CN\C=C\C=O Amb25223016 [1,0,1,0,0,0|2,0,0]=4 1332 B8R0.7 OC(=O)CS\C=C\C=O Amb25230965 [1,0,1,0,0,0|2,0,0]=4 1333 B8R0.7 OC(=O)C\C=C/CC=O Amb25050861 [1,0,1,0,0,0|2,0,0]=4 1334 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [1,0,1,0,0,0|1,0,1]=4 1335 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [1,0,1,0,0,0|2,0,0]=4 1336 B8R0.9 C=C(CCC(O)=O)C#N Amb24465180 [1,0,1,0,0,0|0,0,2]=4 1337 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [1,0,1,0,0,0|1,0,0]=3 1338 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [1,0,1,0,0,0|1,0,0]=3 1339 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [1,0,1,0,0,0|0,0,2]=4 1340 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [1,0,1,0,0,0|1,0,1]=4 1341 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [1,0,1,0,0,0|0,0,2]=4 1342 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [1,0,1,0,0,0|2,0,0]=4 1343 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [1,0,1,0,0,0|2,0,0]=4 1344 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [1,0,1,0,0,0|0,0,1]=3 1345 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [1,0,1,0,0,0|1,0,1]=4 1346 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [1,0,1,0,0,0|1,0,1]=4 1347 B8R0.9 CNC(=N)NCC(O)=O Amb24655458 [1,0,1,0,0,0|1,0,1]=4 1348 B8R0.9 CNC(=N)SCC(O)=O Amb24403395 [1,0,1,0,0,0|1,0,1]=4 1349 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [1,0,1,0,0,0|1,0,1]=4 1350 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [1,0,1,0,0,0|1,0,1]=4 1351 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [1,0,1,0,0,0|1,0,1]=4 1352 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [1,0,1,0,0,0|0,0,1]=3 1353 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [1,0,1,0,0,0|1,0,1]=4 1354 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [1,0,1,0,0,0|1,0,1]=4 1355 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [1,0,1,0,0,0|1,0,1]=4 1356 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [1,0,1,0,0,0|0,0,2]=4 1357 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [1,0,1,0,0,0|2,0,0]=4 1358 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [1,0,1,0,0,0|1,0,1]=4 1359 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [1,0,1,0,0,0|1,0,1]=4 1360 B8R0.9 NNC(=N)NCC(O)=O Amb24477722 [1,0,1,0,0,0|2,0,0]=4 1361 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [1,0,1,0,0,0|1,0,1]=4 1362 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [1,0,1,0,0,0|1,0,1]=4 1363 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [1,0,1,0,0,0|0,0,2]=4 1364 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [1,0,1,0,0,0|2,0,0]=4 1365 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [1,0,1,0,0,0|0,0,2]=4 1366 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [1,0,1,0,0,0|2,0,0]=4 1367 B8R0.1 C\C(\CCC=O)=C/C=C Amb25227853 [1,0,1,0,0,0|2,0,0]=4 1368 B8R1.8 BrCCc1c[nH][n][n]1 Amb18183846 [2,0,0,0,0,0|2,0,0]=4 1369 B8R1.8 BrCCc1c[nH]cc1 Amb18862863 [2,0,0,0,0,0|2,0,0]=4 1370 B8R1.8 BrCCc1c[s]c[n]1 Amb24357977 [2,0,0,0,0,0|2,0,0]=4 1371 B8R1.8 C=CCc1c[nH]cc1 Amb24426386 [2,0,0,0,0,0|1,0,1]=4 1372 B8R1.8 C=CCc1c[s]c[n]1 Amb24737039 [2,0,0,0,0,0|1,0,1]=4 1373 B8R1.8 CCCc1[n]c[nH][n]1 Amb22587345 [2,0,0,0,0,0|1,0,1]=4 1374 B8R1.8 CCCc1cscn1 Amb13884094 [2,0,0,0,0,0|1,0,1]=4 1375 B8R1.8 CCCc1n[nH]cn1 Amb15701458 [2,0,0,0,0,0|1,0,1]=4 1376 B8R1.8 CCOc1c[nH]cn1 Amb13883552 [2,0,0,0,0,0|1,0,1]=4 1377 B8R1.8 CCSc1c[nH]c[n]1 Amb25131599 [2,0,0,0,0,0|1,0,1]=4 1378 B8R1.8 CNCc1c[nH]c[n]1 Amb18964301 [2,0,0,0,0,0|1,0,1]=4 1379 B8R1.8 ClCCc1c[nH][n][n]1 Amb24624958 [2,0,0,0,0,0|2,0,0]=4 1380 B8R1.8 ClCCc1c[nH]c[n]1 Amb22169609 [2,0,0,0,0,0|1,0,0]=3 1381 B8R1.8 ClCCc1c[nH]c[n]1 Amb22234194 [2,0,0,0,0,0|1,0,0]=3 1382 B8R1.8 ClCCc1c[nH]cc1 Amb18222716 [2,0,0,0,0,0|2,0,0]=4 1383 B8R1.8 ClCCc1cscn1 Amb10608058 [2,0,0,0,0,0|2,0,0]=4 1384 B8R1.8 NCCc1c[nH]c[n]1 Amb22167389 [2,0,0,0,0,0|1,0,0]=3 1385 B8R1.8 NCCc1c[nH]c[n]1 Amb22265029 [2,0,0,0,0,0|1,0,0]=3 1386 B8R1.8 NCCc1c[nH]c[n]1 Amb22265030 [2,0,0,0,0,0|1,0,0]=3 1387 B8R1.8 NCCc1c[nH]c[n]1 Amb22396005 [2,0,0,0,0,0|1,0,0]=3 1388 B8R1.8 NCCc1c[nH]cc1 Amb18061637 [2,0,0,0,0,0|2,0,0]=4 1389 B8R1.8 NCCc1c[nH]cn1 Amb1101977 [2,0,0,0,0,0|1,0,0]=3 1390 B8R1.8 NCCc1cscn1 Amb17935894 [2,0,0,0,0,0|2,0,0]=4 1391 B8R1.8 O=CCc1[n]c[s][n]1 Amb24545600 [2,0,0,0,0,0|2,0,0]=4 1392 B8R1.8 O=CCc1c[nH][n]c1 Amb25216022 [2,0,0,0,0,0|2,0,0]=4 1393 B8R1.8 O=CCc1c[nH]c[n]1 Amb18124130 [2,0,0,0,0,0|0,0,0]=2 1394 B8R1.8 O=CCc1c[n][s][n]1 Amb24548593 [2,0,0,0,0,0|1,0,1]=4 1395 B8R1.8 O=CCc1c[n]co1 Amb24653904 [2,0,0,0,0,0|1,0,1]=4 1396 B8R1.8 O=CCc1c[s]c[n]1 Amb24469342 [2,0,0,0,0,0|1,0,0]=3 1397 B8R1.8 O=CCc1ccc[nH]1 Amb24763675 [2,0,0,0,0,0|1,0,1]=4 1398 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|2,0,0]=4 1399 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|2,0,0]=4 1400 B8R1.8 O=CCc1cocc1 Amb18641576 [2,0,0,0,0,0|2,0,0]=4 1401 B8R1.8 O=CNc1c[nH][n][n]1 Amb24714683 [2,0,0,0,0,0|2,0,0]=4 1402 B8R1.8 O=CNc1c[s]c[n]1 Amb24086332 [2,0,0,0,0,0|2,0,0]=4 1403 B8R1.8 OCCC1=CCC=C1 Amb25700126 [2,0,0,0,0,0|2,0,0]=4 1404 B8R1.8 OCCC=1CC=CC1 Amb25795365 [2,0,0,0,0,0|2,0,0]=4 1405 B8R1.8 OCCc1[n]cc[s]1 Amb22235225 [2,0,0,0,0,0|2,0,0]=4 1406 B8R1.8 OCCc1c[nH][n][n]1 Amb19514744 [2,0,0,0,0,0|1,0,0]=3 1407 B8R1.8 OCCc1c[nH]cc1 Amb18860246 [2,0,0,0,0,0|1,0,0]=3 1408 B8R1.8 OCCc1c[nH]nc1 Amb1935046 [2,0,0,0,0,0|2,0,0]=4 1409 B8R1.8 OCCc1c[n][s][n]1 Amb24643038 [2,0,0,0,0,0|1,0,1]=4 1410 B8R1.8 OCCc1c[n]c[nH]1 Amb22436833 [2,0,0,0,0,0|0,0,2]=4 1411 B8R1.8 OCCc1c[n]c[s]1 Amb22371829 [2,0,0,0,0,0|1,0,1]=4 1412 B8R1.8 OCCc1c[s]c[n]1 Amb23536235 [2,0,0,0,0,0|1,0,0]=3 1413 B8R1.8 OCCc1cc[nH][n]1 Amb22728903 [2,0,0,0,0,0|2,0,0]=4 1414 B8R1.8 OCCc1ccc[nH]1 Amb17593146 [2,0,0,0,0,0|1,0,1]=4 1415 B8R1.8 OCCc1ccco1 Amb17089516 [2,0,0,0,0,0|2,0,0]=4 1416 B8R1.8 OCCc1cccs1 Amb2099445 [2,0,0,0,0,0|2,0,0]=4 1417 B8R1.8 OCCc1cocc1 Amb25802261 [2,0,0,0,0,0|2,0,0]=4 1418 B8R1.8 OCCc1cocn1 Amb17399797 [2,0,0,0,0,0|1,0,0]=3 1419 B8R1.8 OCCc1n[nH]nn1 Amb1063502 [2,0,0,0,0,0|2,0,0]=4 1420 B8R1.8 ONCc1c[nH]cc1 Amb25677397 [2,0,0,0,0,0|2,0,0]=4 1421 B8R1.8 ONCc1coc[n]1 Amb24622144 [2,0,0,0,0,0|2,0,0]=4 1422 B8R1.8 O\N=C\c1c[nH]c[n]1 Amb21953000 [2,0,0,0,0,0|1,0,1]=4 1423 B8R1.8 SCCc1c[nH]cc1 Amb18560654 [2,0,0,0,0,0|1,1,0]=4 1424 B8R1.8 SCCc1c[s]c[n]1 Amb25356281 [2,0,0,0,0,0|1,1,0]=4 1425 B10R0.6 C\C=C\C=CC(N)CC(O)=O Amb25384147 [0,1,1,0,0,0|2,0,0]=4 1426 B10R0.6 C\C=C\C=CC(O)CC(O)=O Amb25384176 [0,1,1,0,0,0|2,0,0]=4 1427 B10R0.6 C\C=C\C=C\C(O)CC(O)=O Amb22831940 [0,1,1,0,0,0|2,0,0]=4 1428 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [0,1,1,0,0,0|0,0,2]=4 1429 B10R0.84 CC(=O)\C(\CCC(O)=O)=N/O Amb24765012 [0,1,1,0,0,0|2,0,0]=4 1430 B10R0.84 OC(=O)CC\C(=N\O)\C(O)=O Amb22365968 [0,1,1,0,0,0|2,0,0]=4 1431 B10R0.96 C\C(\CCC(O)=O)=C\C(C)=C Amb18125735 [0,1,1,0,0,0|2,0,0]=4 1432 B10R0.96 NC(=N)NC(=O)CCC(O)=O Amb25288068 [0,1,1,0,0,0|1,0,1]=4 1433 B10R0.96 NC(=S)NC(=O)CCC(O)=O Amb24487889 [0,1,1,0,0,0|1,0,1]=4 1434 B10R1.11 C=CCC(N)c1c[nH][n][n]1 Amb25217529 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.11 C=CCC(N)c1c[nH]cc1 Amb24479271 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.11 C=CCC(O)c1c[nH][n][n]1 Amb25124470 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.11 C=CC[C@@H](N)c1c[nH]cc1 Amb25145502 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.11 C=CC[C@H](N)c1c[nH]cc1 Amb24384071 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.11 CC(CC=O)[n]1c[n]c[n]1 Amb24584410 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.11 CC(CC=O)c1c[n]co1 Amb18643388 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.11 CC(CC=O)c1c[s]cc1 Amb18644679 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.11 CC(CC=O)c1ccc[s]1 Amb18644676 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.11 CC(CCN)c1c[nH]c[n]1 Amb25679554 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.11 CNCC(O)c1c[nH]c[n]1 Amb18831733 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.11 C[C@@H](CC=O)[n]1c[n]c[n]1 Amb24478374 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.11 C[C@@H](CC=O)c1c[s]cc1 Amb24633645 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.11 NC(CCO)c1c[nH]cc1 Amb18563233 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.11 N[C@@H](CCO)c1c[s]c[n]1 Amb25835584 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.11 N[C@H](CCO)c1c[s]c[n]1 Amb24757770 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.11 O=C(CC=O)c1c[nH]cc1 Amb18223123 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.11 O=CCC(c1ccco1)C Amb17593491 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.11 OC(CC=O)c1ccc[s]1 Amb25797666 [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.11 OC(CC=O)c1ccco1 Amb24478201 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.11 OCCC(O)c1c[nH]cc1 Amb18563435 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.16 C=CCCc1c[s]c(N)[n]1 Amb25854850 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.16 CCCCc1c[nH]c(Cl)[n]1 Amb25351500 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.16 CCCCc1c[nH]c(I)[n]1 Amb21927901 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.16 CCCCc1c[nH]c(N)[n]1 Amb25074990 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.16 CCCCc1c[nH]c(S)[n]1 Amb24334732 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.16 CNCCc1c[n](C)c[n]1 Amb23603747 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.16 C[n]1c[n]c(CCC=O)c1 Amb24665803 [1,1,0,0,0,0|0,0,0]=2 1462 B10R1.16 C[n]1c[n]c(CCCO)c1 Amb25343793 [1,1,0,0,0,0|0,0,1]=3 1463 B10R1.16 C[n]1c[n]c(CNC=O)[n]1 Amb25782457 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.16 C[n]1c[n]c(\C=C\C=O)c1 Amb25777995 [1,1,0,0,0,0|0,0,2]=4 1465 B10R1.16 C[n]1cc(CCC=O)c[n]1 Amb24447260 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.16 C[n]1cc(CCCO)cc1 Amb18223708 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.16 Cc1[nH]cc(CCCC)[n]1 Amb24351557 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.16 Cc1[nH]cc(CCCN)[n]1 Amb18222104 [1,1,0,0,0,0|1,0,1]=4 1469 B10R1.16 Cc1[nH]cc(CCNC)[n]1 Amb24642310 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.16 Cc1[nH]cc(NCCO)[n]1 Amb25242770 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.16 Cc1[n]c(CCC=C)c[s]1 Amb25233306 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.16 Cc1[n]c(CCC=O)co1 Amb24478248 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.16 Cc1[n]c(CNC=O)c[s]1 Amb24370248 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.16 Cc1ccc(CCC=O)[s]1 Amb24720268 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.16 Nc1[nH]cc(CCCN)[n]1 Amb20241648 [1,1,0,0,0,0|1,0,1]=4 1476 B10R1.16 O=C1NC(CNC=O)=CN1 Amb24738651 [1,1,0,0,0,0|1,0,1]=4 1477 B10R1.16 O=CCC[n]1cc(Cl)c[n]1 Amb18787829 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.16 O=CCCc1c[s]c(Br)[n]1 Amb25351974 [1,1,0,0,0,0|1,0,0]=3 1479 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.16 O=CCCc1ccc(Cl)[s]1 Amb18803947 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.16 O=CCCc1coc(Br)c1 Amb24723659 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.21 C#CCCCc1c[nH]c[n]1 Amb25251007 [1,1,0,0,0,0|1,0,1]=4 1483 B10R1.21 C#CCNCc1c[nH]c[n]1 Amb18996301 [1,1,0,0,0,0|1,0,1]=4 1484 B10R1.21 C=CCCCc1c[nH]cc1 Amb24477245 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.21 C=CCNCc1c[nH]c[n]1 Amb18314168 [1,1,0,0,0,0|1,0,0]=3 1486 B10R1.21 C=CCNCc1c[s]c[n]1 Amb18305311 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.21 CCCNCc1c[nH]c[n]1 Amb18314167 [1,1,0,0,0,0|1,0,1]=4 1488 B10R1.21 CCCOCc1c[nH]c[n]1 Amb25229015 [1,1,0,0,0,0|1,0,1]=4 1489 B10R1.21 CCOCCc1c[nH]c[n]1 Amb25720845 [1,1,0,0,0,0|1,0,1]=4 1490 B10R1.21 COCCCc1c[nH]c[n]1 Amb24391221 [1,1,0,0,0,0|0,0,1]=3 1491 B10R1.21 NCCCCc1c[nH]c[n]1 Amb18124550 [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.21 NCCNCc1c[nH]c[n]1 Amb19035173 [1,1,0,0,0,0|1,0,1]=4 1493 B10R1.21 NCCOCc1c[nH]c[n]1 Amb18643735 [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.21 NCCSCc1c[nH]c[n]1 Amb18644957 [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.21 O=C=NCCc1c[nH]cc1 Amb18063478 [1,1,0,0,0,0|1,0,1]=4 1496 B10R1.21 O=C=NCCc1c[s]c[n]1 Amb24538017 [1,1,0,0,0,0|1,0,1]=4 1497 B10R1.21 O=CCCCc1[nH]cc[n]1 Amb25146360 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.21 O=CCCCc1c[nH]c[n]1 Amb25146361 [1,1,0,0,0,0|0,0,0]=2 1499 B10R1.21 O=CCCCc1c[nH]cc1 Amb18223326 [1,1,0,0,0,0|1,0,0]=3 1500 B10R1.21 O=CCCCc1c[n][s][n]1 Amb24587632 [1,1,0,0,0,0|1,0,1]=4 1501 B10R1.21 O=CCCCc1c[n]c[s]1 Amb25073856 [1,1,0,0,0,0|1,0,1]=4 1502 B10R1.21 O=CCCCc1c[n]co1 Amb24478357 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.21 O=CCCCc1c[s][n][n]1 Amb24613618 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.21 O=CCCCc1c[s]c[n]1 Amb18644753 [1,1,0,0,0,0|1,0,0]=3 1505 B10R1.21 O=CCCCc1c[s]cc1 Amb24415638 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.21 O=CCCCc1cccs1 Amb17089166 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.21 O=CCCCc1cocc1 Amb25684248 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.21 O=CCCSc1[nH][n]c[n]1 Amb18787680 [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.21 O=CCCSc1[nH]cc[n]1 Amb24464045 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.21 O=CCCSc1[n]cc[s]1 Amb18178061 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.21 O=CCCSc1[n]cco1 Amb24646734 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.21 O=CCCSc1cccs1 Amb17082969 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.21 O=CCOCc1ccc[s]1 Amb18799681 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.21 O=CCOCc1ccco1 Amb24387199 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.21 O=CCSCc1ccco1 Amb18799684 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.21 O=CNCC[n]1c[n]c[n]1 Amb25286458 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.21 O=CNCCc1[n]c[n]o1 Amb25724770 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.21 O=CNCCc1c[n]c[nH]1 Amb25709146 [1,1,0,0,0,0|0,0,2]=4 1519 B10R1.21 O=CNCCc1c[s]cc1 Amb25107058 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.21 O=CNCCc1ccc[nH]1 Amb25127273 [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.21 OCCCCc1c[nH]c[n]1 Amb24073802 [1,1,0,0,0,0|0,0,1]=3 1522 B10R1.21 OCCCCc1c[nH]cc1 Amb18223719 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.21 OCCCCc1c[s]c[n]1 Amb24099729 [1,1,0,0,0,0|1,0,1]=4 1524 B10R1.21 OCCNCc1c[nH]c[n]1 Amb18311230 [1,1,0,0,0,0|0,0,1]=3 1525 B10R1.21 OCCNCc1c[nH]cc1 Amb18862446 [1,1,0,0,0,0|1,0,1]=4 1526 B10R1.21 OCCNCc1c[s]c[n]1 Amb18523819 [1,1,0,0,0,0|1,0,1]=4 1527 B10R1.21 OCCNCc1coc[n]1 Amb25252008 [1,1,0,0,0,0|1,0,1]=4 1528 B10R1.21 OCC\C=C\c1c[nH]c[n]1 Amb24700030 [1,1,0,0,0,0|0,0,2]=4 1529 B10R1.27 CC(CO)Cc1coc[n]1 Amb25686409 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.27 CC(Cc1c[s]c[n]1)C=O Amb24690438 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.27 CC(Cc1c[s]cc1)C=O Amb18644680 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.27 CC(Cc1ccc[s]1)C=O Amb18644678 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.27 CC(Cc1ccco1)C=O Amb18643240 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.27 CC(Cc1cocc1)C=O Amb24715294 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.27 CCC(N)Cc1c[nH]c[n]1 Amb18996572 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.27 CN(Cc1c[s]c[n]1)C=O Amb25730472 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.27 CNC(C)Cc1c[nH]c[n]1 Amb25776654 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.27 CN[C@@H](C)Cc1c[nH]c[n]1 Amb24714623 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.27 CN[C@H](C)Cc1c[nH]c[n]1 Amb25738510 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.27 C[C@@H](CO)Cc1coc[n]1 Amb24481170 [1,1,0,0,0,0|1,0,1]=4 1541 B10R1.27 C[C@H](CO)Cc1coc[n]1 Amb25801261 [1,1,0,0,0,0|1,0,1]=4 1542 B10R1.27 NC(CBr)Cc1c[nH]c[n]1 Amb24640483 [1,1,0,0,0,0|1,0,1]=4 1543 B10R1.27 NC(CCl)Cc1c[nH]c[n]1 Amb20248302 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.27 NC(CO)Cc1c[s]c[n]1 Amb24697508 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.27 NC(Cc1c[nH]c[n]1)=NO Amb25376721 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.27 NCC(N)Cc1c[nH]c[n]1 Amb25326911 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.27 N[C@@H](CF)Cc1c[nH]c[n]1 Amb22899545 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.27 N[C@@H](Cc1c[nH]c[n]1)C#N Amb24706120 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.27 N[C@@H](Cc1c[n]c[nH]1)C=O Amb24430087 [1,1,0,0,0,0|0,0,2]=4 1550 B10R1.27 N[C@H](Cc1c[nH]c[n]1)C#N Amb25025547 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.27 OC(Cc1c[n][s][n]1)C=O Amb24544882 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.27 OC(Cc1c[n]c[s]1)C=O Amb24589363 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.27 OC(Cc1c[s][n][n]1)C=O Amb24504857 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.27 OC(Cc1cocc1)C=O Amb24380070 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.27 OCC(=O)Cc1c[nH]c[n]1 Amb25076724 [1,1,0,0,0,0|0,0,2]=4 1556 B10R1.29 CCCCc1[n]c[nH]c1Cl Amb24567285 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.29 C[n]1[n]c[n]c1CCC=O Amb25032470 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.29 Cc1[nH]c[n]c1CCC#N Amb25367195 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.29 Cc1[nH]c[n]c1CCCN Amb25076011 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.29 Cc1[nH]c[n]c1CCNC Amb18643461 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.29 Cc1[n]c[s]c1CCC=O Amb24085273 [1,1,0,0,0,0|1,0,1]=4 1562 B10R1.29 Clc1[nH]c[n]c1CCCCl Amb25293959 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.29 O=CCC[n]1[n]ccc1Br Amb25377010 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.29 O=CCCc1[s]ccc1Br Amb25838062 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.29 O=CCCc1c[s]cc1Br Amb24624008 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.29 O=CCCc1cc[s]c1Br Amb25185939 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.29 O=CCCc1cc[s]c1Cl Amb25044854 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.23 C=C(C(O)=O)c1cc[nH]c1 Amb18561328 [0,1,0,0,1,0|1,0,1]=4 1569 B10R1.23 CC(=O)C(C)c1coc[n]1 Amb18832113 [0,1,0,0,1,0|2,0,0]=4 1570 B10R1.23 CC(=O)C(N)c1cc[nH]c1 Amb25042145 [0,1,0,0,1,0|2,0,0]=4 1571 B10R1.23 CC(C(O)=O)C=1CC=CC1 Amb24480439 [0,1,0,0,1,0|2,0,0]=4 1572 B10R1.23 CC(C(O)=O)[n]1c[n]c[n]1 Amb21954261 [0,1,0,0,1,0|1,0,1]=4 1573 B10R1.23 CC(C(O)=O)c1[nH]cc[n]1 Amb18202882 [0,1,0,0,1,0|2,0,0]=4 1574 B10R1.23 CC(C(O)=O)c1[n]c[n][s]1 Amb18830504 [0,1,0,0,1,0|1,0,1]=4 1575 B10R1.23 CC(C(O)=O)c1c[nH]c[n]1 Amb18202883 [0,1,0,0,1,0|0,0,0]=2 1576 B10R1.23 CC(C(O)=O)c1c[n]c[s]1 Amb23580683 [0,1,0,0,1,0|1,0,1]=4 1577 B10R1.23 CC(C(O)=O)c1cc[nH][n]1 Amb18831919 [0,1,0,0,1,0|2,0,0]=4 1578 B10R1.23 CC(C(O)=O)c1cc[nH]c1 Amb18064932 [0,1,0,0,1,0|1,0,0]=3 1579 B10R1.23 CC(C(O)=O)c1cc[s]c1 Amb18284449 [0,1,0,0,1,0|2,0,0]=4 1580 B10R1.23 CC(C(O)=O)c1ccc[nH]1 Amb18643379 [0,1,0,0,1,0|1,0,1]=4 1581 B10R1.23 CC(C(O)=O)c1coc[n]1 Amb18202773 [0,1,0,0,1,0|1,0,0]=3 1582 B10R1.23 CC(n1cncn1)C(=O)O Amb1129274 [0,1,0,0,1,0|1,0,1]=4 1583 B10R1.23 C[C@H](C(O)=O)[n]1ccc[n]1 Amb25717004 [0,1,0,0,1,0|2,0,0]=4 1584 B10R1.23 C[C@H](C(O)=O)c1ccc[s]1 Amb24710020 [0,1,0,0,1,0|2,0,0]=4 1585 B10R1.23 NC(=O)C(O)c1c[s]c[n]1 Amb24099725 [0,1,0,0,1,0|2,0,0]=4 1586 B10R1.23 NC(C(O)=O)c1[n]c[s][n]1 Amb18830399 [0,1,0,0,1,0|2,0,0]=4 1587 B10R1.23 NC(C(O)=O)c1[n]cc[s]1 Amb25761284 [0,1,0,0,1,0|2,0,0]=4 1588 B10R1.23 NC(C(O)=O)c1c[nH]c[n]1 Amb18202749 [0,1,0,0,1,0|0,0,0]=2 1589 B10R1.23 NC(C(O)=O)c1c[n]c[s]1 Amb18830497 [0,1,0,0,1,0|1,0,1]=4 1590 B10R1.23 NC(C(O)=O)c1c[n]o[n]1 Amb18202493 [0,1,0,0,1,0|1,0,1]=4 1591 B10R1.23 NC(C(O)=O)c1c[s][n][n]1 Amb24060289 [0,1,0,0,1,0|2,0,0]=4 1592 B10R1.23 NC(C(O)=O)c1c[s]c[n]1 Amb18645003 [0,1,0,0,1,0|1,0,0]=3 1593 B10R1.23 NC(C(O)=O)c1cc[nH]c1 Amb18862405 [0,1,0,0,1,0|1,0,0]=3 1594 B10R1.23 NC(C(O)=O)c1cc[s][n]1 Amb24467851 [0,1,0,0,1,0|2,0,0]=4 1595 B10R1.23 NC(C(O)=O)c1ccc[nH]1 Amb18831925 [0,1,0,0,1,0|1,0,1]=4 1596 B10R1.23 N[C@@H](C(O)=O)c1[nH]cc[n]1 Amb24359279 [0,1,0,0,1,0|2,0,0]=4 1597 B10R1.23 N[C@@H](C(O)=O)c1cc[s]c1 Amb22750704 [0,1,0,0,1,0|2,0,0]=4 1598 B10R1.23 N[C@@H](C(O)=O)c1ccc[s]1 Amb22747193 [0,1,0,0,1,0|2,0,0]=4 1599 B10R1.23 N[C@@H](C(O)=O)c1ccco1 Amb25068121 [0,1,0,0,1,0|2,0,0]=4 1600 B10R1.23 N[C@@H](C(O)=O)c1ccoc1 Amb25684655 [0,1,0,0,1,0|2,0,0]=4 1601 B10R1.23 N[C@H](C(O)=O)c1[n]cc[s]1 Amb25705057 [0,1,0,0,1,0|2,0,0]=4 1602 B10R1.23 N[C@H](C(O)=O)c1c[nH]c[n]1 Amb24746747 [0,1,0,0,1,0|0,0,0]=2 1603 B10R1.23 N[C@H](C(O)=O)c1cc[nH]c1 Amb25063304 [0,1,0,0,1,0|1,0,0]=3 1604 B10R1.23 OC(=O)C(=O)c1c[nH]cn1 Amb1907155 [0,1,0,0,1,0|0,0,1]=3 1605 B10R1.23 OC(=O)C(=O)c1c[s]c[n]1 Amb18644891 [0,1,0,0,1,0|1,0,1]=4 1606 B10R1.23 OC(=O)C(Br)c1ccc[s]1 Amb18658431 [0,1,0,0,1,0|2,0,0]=4 1607 B10R1.23 OC(=O)C(Cl)c1cc[nH]c1 Amb18563480 [0,1,0,0,1,0|1,0,0]=3 1608 B10R1.23 OC(=O)C(F)[n]1c[n]c[n]1 Amb24428569 [0,1,0,0,1,0|1,0,1]=4 1609 B10R1.23 OC(=O)C(F)[n]1ccc[n]1 Amb24524322 [0,1,0,0,1,0|2,0,0]=4 1610 B10R1.23 OC(=O)C(F)c1c[s]c[n]1 Amb25767685 [0,1,0,0,1,0|1,0,0]=3 1611 B10R1.23 OC(=O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|2,0,0]=4 1612 B10R1.23 OC(=O)C(O)c1[nH]cc[n]1 Amb25082992 [0,1,0,0,1,0|2,0,0]=4 1613 B10R1.23 OC(=O)C(O)c1[n]cc[s]1 Amb24478433 [0,1,0,0,1,0|2,0,0]=4 1614 B10R1.23 OC(=O)C(O)c1c[nH]c[n]1 Amb24479126 [0,1,0,0,1,0|0,0,0]=2 1615 B10R1.23 OC(=O)C(O)c1c[nH]cc1 Amb18862454 [0,1,0,0,1,0|1,0,0]=3 1616 B10R1.23 OC(=O)C(O)c1c[s]c[n]1 Amb18830402 [0,1,0,0,1,0|1,0,0]=3 1617 B10R1.23 OC(=O)C(O)c1c[s]cc1 Amb18952015 [0,1,0,0,1,0|2,0,0]=4 1618 B10R1.23 OC(=O)C(O)c1cc[s][n]1 Amb18830400 [0,1,0,0,1,0|2,0,0]=4 1619 B10R1.23 OC(=O)C(O)c1ccc[nH]1 Amb24480945 [0,1,0,0,1,0|1,0,1]=4 1620 B10R1.23 OC(=O)C(c1ccco1)C Amb17087431 [0,1,0,0,1,0|2,0,0]=4 1621 B10R1.23 OC(=O)C(c1cccs1)C Amb10844027 [0,1,0,0,1,0|2,0,0]=4 1622 B10R1.23 OC(=O)C(c1cccs1)Cl Amb17233234 [0,1,0,0,1,0|2,0,0]=4 1623 B10R1.23 OC(=O)C(c1cccs1)N Amb1840251 [0,1,0,0,1,0|2,0,0]=4 1624 B10R1.23 OC(=O)C(c1cccs1)O Amb17232241 [0,1,0,0,1,0|2,0,0]=4 1625 B10R1.23 OC(=O)C(c1cocc1)O Amb10810585 [0,1,0,0,1,0|2,0,0]=4 1626 B10R1.23 OC(=O)C(c1cscc1)N Amb2425141 [0,1,0,0,1,0|2,0,0]=4 1627 B10R1.23 OC(=O)C(c1nccs1)C Amb10844026 [0,1,0,0,1,0|2,0,0]=4 1628 B10R1.23 OC(=O)C(n1cccn1)C Amb1138614 [0,1,0,0,1,0|2,0,0]=4 1629 B10R1.23 OC(=O)[C@@H](O)c1c[s]cc1 Amb25074325 [0,1,0,0,1,0|2,0,0]=4 1630 B10R1.23 OC(=O)[C@@H](c1cccs1)C Amb10844019 [0,1,0,0,1,0|2,0,0]=4 1631 B10R1.23 OC(=O)[C@@H](c1cscc1)C Amb10844020 [0,1,0,0,1,0|2,0,0]=4 1632 B10R1.23 OC(=O)[C@H](O)c1ccco1 Amb24445445 [0,1,0,0,1,0|2,0,0]=4 1633 B10R1.23 OC(=O)[C@H](c1cscc1)C Amb10844030 [0,1,0,0,1,0|2,0,0]=4 1634 B10R1.23 OC(=O)[C@H](c1cscc1)N Amb16232233 [0,1,0,0,1,0|2,0,0]=4 1635 B10R1.54 CC(=O)CC=1NNC(=O)N1 Amb25712616 [0,1,0,0,1,0|2,0,0]=4 1636 B10R1.54 CC(=O)C[n+]1cn(cn1)N Amb10573700 [0,1,0,0,1,0|2,0,0]=4 1637 B10R1.54 CC(=O)Cc1c[n](C)[n][n]1 Amb24464290 [0,1,0,0,1,0|2,0,0]=4 1638 B10R1.54 CC(=O)Cc1c[n](C)cc1 Amb18243431 [0,1,0,0,1,0|2,0,0]=4 1639 B10R1.54 CC(=O)Cc1c[s]c(Br)[n]1 Amb18766886 [0,1,0,0,1,0|2,0,0]=4 1640 B10R1.54 CC(=O)Cc1c[s]c(N)[n]1 Amb18830764 [0,1,0,0,1,0|2,0,0]=4 1641 B10R1.54 C[n]1[n]c(CC(O)=O)[n][n]1 Amb18063132 [0,1,0,0,1,0|2,0,0]=4 1642 B10R1.54 C[n]1[n]c(CC(O)=O)c[n]1 Amb23541048 [0,1,0,0,1,0|1,0,1]=4 1643 B10R1.54 C[n]1c[n]c(CC(O)=O)[n]1 Amb18202757 [0,1,0,0,1,0|1,0,0]=3 1644 B10R1.54 C[n]1cc(CC(N)=O)cc1 Amb18893402 [0,1,0,0,1,0|2,0,0]=4 1645 B10R1.54 C[n]1cc(CC(O)=O)[n][n]1 Amb23570371 [0,1,0,0,1,0|1,0,0]=3 1646 B10R1.54 C[n]1cc(CC(O)=O)[n]c1 Amb22295902 [0,1,0,0,1,0|0,0,0]=2 1647 B10R1.54 C[n]1cc(CC(O)=O)cc1 Amb18064824 [0,1,0,0,1,0|1,0,0]=3 1648 B10R1.54 Cc1[nH]c(CC(O)=O)c[n]1 Amb18202913 [0,1,0,0,1,0|0,0,2]=4 1649 B10R1.54 Cc1[n][n](CC(O)=O)c[n]1 Amb18254893 [0,1,0,0,1,0|1,0,1]=4 1650 B10R1.54 Cc1[n]c(CC(=O)Cl)c[s]1 Amb25198727 [0,1,0,0,1,0|2,0,0]=4 1651 B10R1.54 Cc1[n]c(CC(C)=O)c[s]1 Amb18791662 [0,1,0,0,1,0|2,0,0]=4 1652 B10R1.54 Cc1[n]c(CC(O)=O)[n][s]1 Amb18830499 [0,1,0,0,1,0|2,0,0]=4 1653 B10R1.54 Cc1[n]c(CC(O)=O)[s][n]1 Amb18830502 [0,1,0,0,1,0|1,0,1]=4 1654 B10R1.54 Cc1[n]cc(CC(O)=O)o1 Amb18202766 [0,1,0,0,1,0|1,0,1]=4 1655 B10R1.54 Cc1c[nH]c(CC(O)=O)[n]1 Amb18202912 [0,1,0,0,1,0|2,0,0]=4 1656 B10R1.54 Cc1c[n](CC(O)=O)[n]c1 Amb22587129 [0,1,0,0,1,0|2,0,0]=4 1657 B10R1.54 Cc1c[n]c(CC(O)=O)[s]1 Amb18286622 [0,1,0,0,1,0|2,0,0]=4 1658 B10R1.54 Cc1c[n]c(CC(O)=O)o1 Amb18831795 [0,1,0,0,1,0|2,0,0]=4 1659 B10R1.54 Cc1cc(CC(O)=O)[n][nH]1 Amb22283965 [0,1,0,0,1,0|2,0,0]=4 1660 B10R1.54 Cc1cc(CC(O)=O)[n][s]1 Amb18830635 [0,1,0,0,1,0|2,0,0]=4 1661 B10R1.54 Cc1cc(CC(O)=O)c[nH]1 Amb18832122 [0,1,0,0,1,0|1,0,0]=3 1662 B10R1.54 Cc1cc(CC(O)=O)oc1 Amb18831942 [0,1,0,0,1,0|2,0,0]=4 1663 B10R1.54 Cc1cc(n[nH]1)CC(=O)O Amb1091981 [0,1,0,0,1,0|2,0,0]=4 1664 B10R1.54 Cc1cc(no1)CC(=O)O Amb17064157 [0,1,0,0,1,0|2,0,0]=4 1665 B10R1.54 Cc1ccc(CC(O)=O)[nH]1 Amb18832131 [0,1,0,0,1,0|1,0,1]=4 1666 B10R1.54 Cc1ccc(CC(O)=O)o1 Amb18960367 [0,1,0,0,1,0|2,0,0]=4 1667 B10R1.54 Cc1ccc(s1)CC(=O)O Amb2234463 [0,1,0,0,1,0|2,0,0]=4 1668 B10R1.54 Cc1ccn(n1)CC(=O)O Amb1935095 [0,1,0,0,1,0|2,0,0]=4 1669 B10R1.54 Cc1cn(nc1)CC(=O)O Amb1945752 [0,1,0,0,1,0|2,0,0]=4 1670 B10R1.54 Cc1coc(CC(O)=O)[n]1 Amb18831793 [0,1,0,0,1,0|2,0,0]=4 1671 B10R1.54 Cc1nc([nH]n1)CC(=O)O Amb2570608 [0,1,0,0,1,0|1,0,1]=4 1672 B10R1.54 Cc1nc(cs1)CC(=O)O Amb1105673 [0,1,0,0,1,0|1,0,0]=3 1673 B10R1.54 Cc1nc(on1)CC(=O)O Amb17399871 [0,1,0,0,1,0|1,0,1]=4 1674 B10R1.54 Cn1cc(nc1)CC(=O)O Amb13883551 [0,1,0,0,1,0|0,0,0]=2 1675 B10R1.54 Cn1ccc(n1)CC(=O)O Amb16229976 [0,1,0,0,1,0|2,0,0]=4 1676 B10R1.54 NC(=O)Cc1c[s]c(Br)[n]1 Amb22495405 [0,1,0,0,1,0|2,0,0]=4 1677 B10R1.54 NC(=O)Cc1n[nH]c(n1)N Amb19134589 [0,1,0,0,1,0|2,0,0]=4 1678 B10R1.54 Nc1[nH][n]c(CC(O)=O)[n]1 Amb22586899 [0,1,0,0,1,0|1,0,0]=3 1679 B10R1.54 Nc1[n]c(CC(O)=O)[n][s]1 Amb18199877 [0,1,0,0,1,0|2,0,0]=4 1680 B10R1.54 Nc1[n]c(CC(O)=O)[n]o1 Amb18643981 [0,1,0,0,1,0|2,0,0]=4 1681 B10R1.54 Nc1[n]c(CC(O)=O)co1 Amb24401131 [0,1,0,0,1,0|1,0,0]=3 1682 B10R1.54 Nc1[n]c(CC(O)=O)o[n]1 Amb18202492 [0,1,0,0,1,0|1,0,1]=4 1683 B10R1.54 Nc1[n]cc(CC(O)=O)o1 Amb18202644 [0,1,0,0,1,0|1,0,1]=4 1684 B10R1.54 Nc1c[n](CC(O)=O)[n]c1 Amb21961626 [0,1,0,0,1,0|2,0,0]=4 1685 B10R1.54 Nc1c[n](CC(O)=O)[n]c1 Amb22280386 [0,1,0,0,1,0|2,0,0]=4 1686 B10R1.54 Nc1c[n]c(CC(O)=O)[nH]1 Amb18831782 [0,1,0,0,1,0|2,0,0]=4 1687 B10R1.54 Nc1cc(CC(O)=O)[s]c1 Amb18830633 [0,1,0,0,1,0|2,0,0]=4 1688 B10R1.54 Nc1cc(n[nH]1)CC(=O)O Amb10603809 [0,1,0,0,1,0|2,0,0]=4 1689 B10R1.54 Nc1cc[n](CC(O)=O)[n]1 Amb22280389 [0,1,0,0,1,0|2,0,0]=4 1690 B10R1.54 Nc1nc([nH]n1)CC(=O)O Amb1038980 [0,1,0,0,1,0|1,0,1]=4 1691 B10R1.54 Nn1c[n+](nc1)CC(=O)O Amb10573704 [0,1,0,0,1,0|1,0,0]=3 1692 B10R1.54 OC(=O)CC1=CC(=O)NN1 Amb18202650 [0,1,0,0,1,0|2,0,0]=4 1693 B10R1.54 OC(=O)CC1=CC(=O)NO1 Amb18831605 [0,1,0,0,1,0|2,0,0]=4 1694 B10R1.54 OC(=O)CC1=CCC(=O)O1 Amb25703174 [0,1,0,0,1,0|2,0,0]=4 1695 B10R1.54 OC(=O)CC1=CNC(=O)N1 Amb24715588 [0,1,0,0,1,0|0,0,1]=3 1696 B10R1.54 OC(=O)CC1=CSC(=O)N1 Amb18534615 [0,1,0,0,1,0|1,0,1]=4 1697 B10R1.54 OC(=O)CC=1NC(=O)NN1 Amb18282699 [0,1,0,0,1,0|1,0,1]=4 1698 B10R1.54 OC(=O)C[n+]1ccn(c1)C Amb10573098 [0,1,0,0,1,0|2,0,0]=4 1699 B10R1.54 OC(=O)C[n]1c[n]c(Br)[n]1 Amb22741334 [0,1,0,0,1,0|1,0,1]=4 1700 B10R1.54 OC(=O)C[n]1c[n]c(I)[n]1 Amb22894908 [0,1,0,0,1,0|1,0,1]=4 1701 B10R1.54 OC(=O)C[n]1cc(F)c[n]1 Amb23400566 [0,1,0,0,1,0|2,0,0]=4 1702 B10R1.54 OC(=O)C[n]1cc(S)c[n]1 Amb24687828 [0,1,0,0,1,0|2,0,0]=4 1703 B10R1.54 OC(=O)C[n]1ccc(Br)[n]1 Amb20619995 [0,1,0,0,1,0|2,0,0]=4 1704 B10R1.54 OC(=O)Cc1[nH][n]c(S)[n]1 Amb25241220 [0,1,0,0,1,0|1,0,1]=4 1705 B10R1.54 OC(=O)Cc1[n]c(Br)[n]o1 Amb18176393 [0,1,0,0,1,0|1,0,1]=4 1706 B10R1.54 OC(=O)Cc1[n]c(Br)c[s]1 Amb24481258 [0,1,0,0,1,0|2,0,0]=4 1707 B10R1.54 OC(=O)Cc1[n]c(Cl)co1 Amb18829877 [0,1,0,0,1,0|2,0,0]=4 1708 B10R1.54 OC(=O)Cc1[n]cc(Cl)[s]1 Amb23439705 [0,1,0,0,1,0|2,0,0]=4 1709 B10R1.54 OC(=O)Cc1c[n]c(Br)[s]1 Amb18161036 [0,1,0,0,1,0|1,0,1]=4 1710 B10R1.54 OC(=O)Cc1c[n]c(S)[s]1 Amb18127410 [0,1,0,0,1,0|1,0,1]=4 1711 B10R1.54 OC(=O)Cc1c[s]c(Br)c1 Amb25312095 [0,1,0,0,1,0|2,0,0]=4 1712 B10R1.54 OC(=O)Cc1c[s]c(Cl)[n]1 Amb23439991 [0,1,0,0,1,0|1,0,0]=3 1713 B10R1.54 OC(=O)Cc1c[s]c(F)c1 Amb25290494 [0,1,0,0,1,0|2,0,0]=4 1714 B10R1.54 OC(=O)Cc1c[s]c(I)[n]1 Amb25759736 [0,1,0,0,1,0|1,0,0]=3 1715 B10R1.54 OC(=O)Cc1cc(Cl)o[n]1 Amb24480665 [0,1,0,0,1,0|2,0,0]=4 1716 B10R1.54 OC(=O)Cc1cc(cs1)Br Amb10069924 [0,1,0,0,1,0|2,0,0]=4 1717 B10R1.54 OC(=O)Cc1ccc(Br)[nH]1 Amb25090619 [0,1,0,0,1,0|1,0,1]=4 1718 B10R1.54 OC(=O)Cc1ccc(F)[s]1 Amb24269131 [0,1,0,0,1,0|2,0,0]=4 1719 B10R1.54 OC(=O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|2,0,0]=4 1720 B10R1.54 OC(=O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|2,0,0]=4 1721 B10R1.54 OC(=O)Cc1ccc(s1)Br Amb2237320 [0,1,0,0,1,0|2,0,0]=4 1722 B10R1.54 OC(=O)Cc1ccc(s1)Cl Amb2235520 [0,1,0,0,1,0|2,0,0]=4 1723 B10R1.54 OC(=O)Cc1csc(n1)Br Amb17405994 [0,1,0,0,1,0|1,0,0]=3 1724 B10R1.54 OC(=O)Cn1cc(cn1)Br Amb1946097 [0,1,0,0,1,0|2,0,0]=4 1725 B10R1.54 OC(=O)Cn1cc(cn1)I Amb16186677 [0,1,0,0,1,0|2,0,0]=4 1726 B10R1.54 Oc1[n]c[n](CC(O)=O)[n]1 Amb22895292 [0,1,0,0,1,0|1,0,1]=4 1727 B10R1.54 Oc1c[n]c(CC(O)=O)[nH]1 Amb18862464 [0,1,0,0,1,0|2,0,0]=4 1728 B10R1.54 Oc1c[s]c(CC(O)=O)c1 Amb25338381 [0,1,0,0,1,0|2,0,0]=4 1729 B10R1.54 Oc1cc(CC(O)=O)[n]o1 Amb23504423 [0,1,0,0,1,0|2,0,0]=4 1730 B10R1.64 C[n]1[n]c[n]c1CC(O)=O Amb18287001 [0,1,0,0,1,0|1,0,1]=4 1731 B10R1.64 C[n]1c[n]cc1CC(O)=O Amb18202884 [0,1,0,0,1,0|0,0,2]=4 1732 B10R1.64 Cc1[nH]c[n]c1CC(O)=O Amb24126542 [0,1,0,0,1,0|0,0,0]=2 1733 B10R1.64 Cc1[n][nH][n]c1CC(O)=O Amb18202755 [0,1,0,0,1,0|1,0,1]=4 1734 B10R1.64 Cc1[n][s][n]c1CC(O)=O Amb18645004 [0,1,0,0,1,0|1,0,1]=4 1735 B10R1.64 Cc1[n]c[n][n]1CC(O)=O Amb18254896 [0,1,0,0,1,0|1,0,1]=4 1736 B10R1.64 Cc1[s]c[n]c1CC(O)=O Amb25031494 [0,1,0,0,1,0|1,0,0]=3 1737 B10R1.64 Cc1c[nH][n]c1CC(O)=O Amb18831928 [0,1,0,0,1,0|2,0,0]=4 1738 B10R1.64 Cc1c[nH]cc1CC(O)=O Amb24481198 [0,1,0,0,1,0|1,0,0]=3 1739 B10R1.64 Cc1cc[nH]c1CC(O)=O Amb23440860 [0,1,0,0,1,0|1,0,1]=4 1740 B10R1.64 Cc1cocc1CC(O)=O Amb25025435 [0,1,0,0,1,0|2,0,0]=4 1741 B10R1.64 Cc1ncoc1CC(=O)O Amb17399865 [0,1,0,0,1,0|1,0,1]=4 1742 B10R1.64 Cc1nonc1CC(=O)O Amb1099155 [0,1,0,0,1,0|1,0,1]=4 1743 B10R1.64 Cc1occc1CC(=O)O Amb17593534 [0,1,0,0,1,0|2,0,0]=4 1744 B10R1.64 Nc1[nH][n]cc1CC(O)=O Amb24682921 [0,1,0,0,1,0|2,0,0]=4 1745 B10R1.64 Nc1[s]ccc1CC(O)=O Amb18830628 [0,1,0,0,1,0|2,0,0]=4 1746 B10R1.64 Nc1c[s]cc1CC(O)=O Amb24517153 [0,1,0,0,1,0|2,0,0]=4 1747 B10R1.64 Nc1cc[n][n]1CC(O)=O Amb24594873 [0,1,0,0,1,0|2,0,0]=4 1748 B10R1.64 Nc1cc[s]c1CC(O)=O Amb22499925 [0,1,0,0,1,0|2,0,0]=4 1749 B10R1.64 Nc1ccoc1CC(O)=O Amb18202764 [0,1,0,0,1,0|2,0,0]=4 1750 B10R1.64 OC(=O)CC1=CCNC1=O Amb25125935 [0,1,0,0,1,0|1,0,1]=4 1751 B10R1.64 OC(=O)CC1=CNNC1=O Amb20036826 [0,1,0,0,1,0|2,0,0]=4 1752 B10R1.64 OC(=O)CC1=NNOC1=O Amb22731008 [0,1,0,0,1,0|2,0,0]=4 1753 B10R1.64 OC(=O)CN1C=CNC1=S Amb24652318 [0,1,0,0,1,0|2,0,0]=4 1754 B10R1.64 OC(=O)Cc1[nH]c[n]c1Br Amb18176563 [0,1,0,0,1,0|0,0,2]=4 1755 B10R1.64 OC(=O)Cc1[nH]c[n]c1I Amb24575242 [0,1,0,0,1,0|0,0,2]=4 1756 B10R1.64 OC(=O)Cc1[n][nH]cc1Br Amb23555805 [0,1,0,0,1,0|2,0,0]=4 1757 B10R1.64 OC(=O)Cc1[n][nH]cc1Cl Amb25223511 [0,1,0,0,1,0|2,0,0]=4 1758 B10R1.64 OC(=O)Cc1[s]c[n]c1Br Amb18161023 [0,1,0,0,1,0|1,0,1]=4 1759 B10R1.64 OC(=O)Cc1[s]ccc1Br Amb18283686 [0,1,0,0,1,0|2,0,0]=4 1760 B10R1.64 OC(=O)Cc1[s]ccc1F Amb25088269 [0,1,0,0,1,0|2,0,0]=4 1761 B10R1.64 OC(=O)Cc1c[n][nH]c1Cl Amb25253360 [0,1,0,0,1,0|2,0,0]=4 1762 B10R1.64 OC(=O)Cc1c[s]cc1Br Amb25062150 [0,1,0,0,1,0|2,0,0]=4 1763 B10R1.64 OC(=O)Cc1cc[s]c1Br Amb18765498 [0,1,0,0,1,0|2,0,0]=4 1764 B10R1.64 OC(=O)Cc1cc[s]c1Cl Amb23504442 [0,1,0,0,1,0|2,0,0]=4 1765 B10R1.64 OC(=O)Cc1nccn1C Amb17106786 [0,1,0,0,1,0|2,0,0]=4 1766 B10R1.64 OC(=O)Cc1nonc1O Amb10552405 [0,1,0,0,1,0|1,0,1]=4 1767 B10R1.64 OC(=O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|2,0,0]=4 1768 B10R1.64 OC(=O)Cc1occc1F Amb25133593 [0,1,0,0,1,0|2,0,0]=4 1769 B10R1.64 OC(=O)Cn1nccc1C Amb1946376 [0,1,0,0,1,0|2,0,0]=4 1770 B10R1.64 Oc1[n]c[nH]c1CC(O)=O Amb18202646 [0,1,0,0,1,0|0,0,2]=4 1771 B10R1.281 CS(=O)(=O)Cc1c[nH]c[n]1 Amb25787032 [0,1,0,0,1,0|1,0,1]=4 1772 B12R1.21 CC(=O)CCC=1C=CC(=O)NC1 Amb24346528 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.21 CC(=O)CCc1ccc(Br)c[n]1 Amb25729593 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.21 CC(=O)CCc1ccc(Cl)[n]c1 Amb25725533 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.21 CC=1NN=C(NN1)NCC(O)=O Amb25311594 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.21 CN1CCC(CCC(O)=O)=CC1 Amb25083524 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.21 Cc1[n][n]c(CCC(O)=O)[n][n]1 Amb25796250 [0,1,0,0,0,1|1,0,1]=4 1778 B12R1.21 Cc1c[n]c(CCC(O)=O)[n][n]1 Amb18827301 [0,1,0,0,0,1|1,0,1]=4 1779 B12R1.21 Cc1c[n]c(CCC(O)=O)c[n]1 Amb18827880 [0,1,0,0,0,1|0,0,1]=3 1780 B12R1.21 Cc1c[n]c([n]c1)SCC(O)=O Amb18977501 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.21 Cc1ccc(CCC(C)=O)c[n]1 Amb25197877 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.21 Cc1ccc(CCC(O)=O)[n]c1 Amb22886574 [0,1,0,0,0,1|1,0,0]=3 1783 B12R1.21 Cc1ccc(CCC(O)=O)c[n]1 Amb18828437 [0,1,0,0,0,1|1,0,0]=3 1784 B12R1.21 Cc1ccc([n]c1)OCC(O)=O Amb24359369 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.21 Cc1ccc(c[n]1)OCC(O)=O Amb18991754 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.21 Cc1ccc(nn1)OCC(=O)O Amb13783648 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.21 Cc1ccc(nn1)SCC(=O)O Amb17516089 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.21 Nc1c[n]c(NCC(O)=O)[n]c1 Amb18295965 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.21 Nc1ccc(CCC(O)=O)[n]c1 Amb24663664 [0,1,0,0,0,1|1,0,0]=3 1790 B12R1.21 Nc1ccc(CCC(O)=O)c[n]1 Amb19958679 [0,1,0,0,0,1|1,0,0]=3 1791 B12R1.21 Nc1ccc(CCC(O)=O)c[n]1 Amb22546430 [0,1,0,0,0,1|1,0,0]=3 1792 B12R1.21 Nc1ccc([n]c1)SCC(O)=O Amb18291280 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.21 Nc1ccc(c[n]1)NCC(O)=O Amb18987715 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.21 OC(=O)CCC1=CNC(=O)N=C1 Amb24541305 [0,1,0,0,0,1|0,0,0]=2 1795 B12R1.21 OC(=O)CCC=1C=CC(=O)NN1 Amb18212062 [0,1,0,0,0,1|1,0,0]=3 1796 B12R1.21 OC(=O)CCC=1CCC(=O)CC1 Amb25783905 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.21 OC(=O)CCc1[n]cc(F)c[n]1 Amb24673852 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.21 OC(=O)CCc1ccc(Br)[n]c1 Amb22292277 [0,1,0,0,0,1|1,0,0]=3 1799 B12R1.21 OC(=O)CCc1ccc(Cl)[n]c1 Amb18649204 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.21 OC(=O)CCc1ccc(F)[n]c1 Amb22886575 [0,1,0,0,0,1|1,0,0]=3 1801 B12R1.21 OC(=O)CCc1ccc(cc1)Br Amb1220330 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.21 OC(=O)CCc1ccc(cc1)C Amb1225383 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.21 OC(=O)CCc1ccc(cc1)Cl Amb1093991 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.21 OC(=O)CCc1ccc(cc1)F Amb1214879 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.21 OC(=O)CNc1[n]cc(Br)c[n]1 Amb24343808 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.21 OC(=O)CNc1ccc(cn1)N Amb17041212 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.21 OC(=O)COC=1C=CC(=O)NN1 Amb17933903 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.21 OC(=O)COc1[n]cc(Br)c[n]1 Amb22495969 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.21 OC(=O)COc1[n]cc(Cl)c[n]1 Amb25050767 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.21 OC(=O)COc1[n]cc(I)c[n]1 Amb25280340 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.21 OC(=O)COc1ccc(F)c[n]1 Amb24748685 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.21 OC(=O)CSC=1C=CC(=O)NN1 Amb18538521 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.21 OC(=O)CSC=1C=CC(=S)NN1 Amb24682683 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.21 OC(=O)CSc1[n]cc(Cl)c[n]1 Amb24113231 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.21 OC(=O)CSc1[n]cc(I)c[n]1 Amb25125790 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.21 OC(=O)CSc1c[n]c(Cl)c[n]1 Amb24541262 [0,1,0,0,0,1|1,0,1]=4 1817 B12R1.21 OC(=O)CSc1ccc(F)c[n]1 Amb18976422 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.21 OC(=O)CSc1ccc(nc1)N Amb17305688 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.21 OC(=O)NCc1ccc(Cl)[n]c1 Amb24068954 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.21 OC=1CCC(CCC(O)=O)=NN1 Amb19864608 [0,1,0,0,0,1|1,0,1]=4 1821 B12R1.21 Oc1c[n]c([n]c1)SCC(O)=O Amb24566737 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.21 Oc1ccc(CCC(O)=O)[n][n]1 Amb21937853 [0,1,0,0,0,1|1,0,0]=3 1823 B12R1.27 C#CC(=O)CCc1ccc[n]c1 Amb25271085 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.27 CNC(=O)CCc1c[n]c[n]c1 Amb24388414 [0,1,0,0,0,1|1,0,1]=4 1825 B12R1.27 COC(=N)CCc1ccc[n]c1 Amb18563630 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.27 COC(=N)CCc1cccc[n]1 Amb18563625 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.27 COC(=O)CCc1c[n]c[n]c1 Amb21922892 [0,1,0,0,0,1|0,0,1]=3 1828 B12R1.27 COC(=O)CCc1cc[n][n]c1 Amb23454523 [0,1,0,0,0,1|1,0,1]=4 1829 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,1,0,0,0,1|1,0,1]=4 1830 B12R1.27 COC(=O)CNc1c[n]c[n]c1 Amb18270088 [0,1,0,0,0,1|1,0,1]=4 1831 B12R1.27 COC(=O)CNc1cc[n]c[n]1 Amb18788537 [0,1,0,0,0,1|1,0,1]=4 1832 B12R1.27 COC(=O)CNc1ccc[n][n]1 Amb19023174 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.27 COC(=O)CNc1ccc[n]c1 Amb18270093 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.27 COC(=O)COc1cccc[n]1 Amb24095859 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.27 COC(=O)CSc1cccc[n]1 Amb22280333 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.27 COC(=O)NCc1cc[n]c[n]1 Amb25321776 [0,1,0,0,0,1|1,0,1]=4 1837 B12R1.27 COC(=O)NCc1ccccn1 Amb17736865 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.27 COC(=O)NCc1cccnc1 Amb17790231 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.27 NNC(=O)CCc1cccc[n]1 Amb25299317 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.27 N\C(\CCc1c[n]ccc1)=N/O Amb24678911 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.27 N\C(\CCc1cccc[n]1)=N/O Amb18792639 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.27 OCC(=O)CCc1cc[n]cc1 Amb18563675 [0,1,0,0,0,1|1,0,1]=4 1843 B12R1.27 OCC(=O)CCc1ccc[n]c1 Amb18563674 [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.27 OCC(=O)CCc1cccc[n]1 Amb18563673 [0,1,0,0,0,1|1,0,0]=3 1845 B12R1.27 OCC(=O)CCc1ccccc1 Amb18563609 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.27 OCC(=O)NCc1ccccn1 Amb17334667 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.27 OCC(=O)NCc1cccnc1 Amb17334668 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.27 ONC(=O)CCc1c[n]cc[n]1 Amb25279606 [0,1,0,0,0,1|0,0,1]=3 1849 B12R1.27 ONC(=O)CCc1cc[n]cc1 Amb24577197 [0,1,0,0,0,1|1,0,1]=4 1850 B12R1.27 ONC(=O)CCc1ccc[n]c1 Amb24413046 [0,1,0,0,0,1|1,0,0]=3 1851 B12R1.27 ONC(=O)CCc1cccc[n]1 Amb24703542 [0,1,0,0,0,1|1,0,0]=3 1852 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 Amb17610062 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 Amb17610063 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.43 CC(=O)C(Cc1ccccn1)Br Amb17507813 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.43 CC(=O)C(Cc1ccccn1)Cl Amb17507767 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.43 CC(=O)C(Cc1cccnc1)Br Amb17507814 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.43 CC(=O)C(Cc1cccnc1)Cl Amb17507768 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.43 CC(C(=O)O)Nc1ncccn1 Amb2372391 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.43 CC(C(=O)O)Sc1cnccn1 Amb2446097 [0,1,0,0,0,1|1,0,1]=4 1860 B12R1.43 CC(Cc1c[n]c[n]c1)C(O)=O Amb24375035 [0,1,0,0,0,1|0,0,1]=3 1861 B12R1.43 CC(Nc1c[n]c[n]c1)C(O)=O Amb18270384 [0,1,0,0,0,1|1,0,1]=4 1862 B12R1.43 CC(Nc1cc[n]c[n]1)C(O)=O Amb18973870 [0,1,0,0,0,1|1,0,1]=4 1863 B12R1.43 CC(Nc1ccc[n][n]1)C(O)=O Amb18991526 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.43 CC(Nc1ccc[n]c1)C(O)=O Amb18270393 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.43 CC(Sc1cc[n]c[n]1)C(O)=O Amb18973866 [0,1,0,0,0,1|1,0,1]=4 1866 B12R1.43 CC(Sc1ccc[n][n]1)C(O)=O Amb18991532 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 Amb10844541 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.43 C[C@@H](Nc1[n]ccc[n]1)C(O)=O Amb24707746 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.43 C[C@@H](Nc1cccc[n]1)C(O)=O Amb24475793 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 Amb10844540 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.43 C[C@H](C(=O)O)Nc1cnccn1 Amb16233069 [0,1,0,0,0,1|1,0,1]=4 1872 B12R1.43 C[C@H](Nc1c[n]cc[n]1)C(O)=O Amb25829931 [0,1,0,0,0,1|1,0,1]=4 1873 B12R1.43 C[C@H](Nc1ccc[n][n]1)C(O)=O Amb25268668 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.43 C[C@H](Nc1ccc[n]c1)C(O)=O Amb25320831 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.43 C[C@H](Nc1cccc[n]1)C(O)=O Amb24066967 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.43 C[C@H](Sc1cccc[n]1)C(O)=O Amb22388633 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.43 ClC(C(=O)O)Cc1ccccc1 Amb17204339 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.43 FC(C(=O)O)Sc1ncccn1 Amb2407790 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.43 NC(=O)C(Br)Cc1c[n]c[n]c1 Amb25188402 [0,1,0,0,0,1|1,0,1]=4 1880 B12R1.43 NC(=O)C(Br)Cc1ccc[n]c1 Amb25741625 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.43 NC(C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22367486 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.43 NC(Cc1[n][n]c[n][n]1)C(O)=O Amb25215585 [0,1,0,0,0,1|1,0,1]=4 1883 B12R1.43 NC(Cc1[n]ccc[n]1)C(O)=O Amb18995251 [0,1,0,0,0,1|1,0,0]=3 1884 B12R1.43 NC(Cc1c[n][n]c[n]1)C(O)=O Amb18826715 [0,1,0,0,0,1|0,0,1]=3 1885 B12R1.43 NC(Cc1c[n]c[n][n]1)C(O)=O Amb25174569 [0,1,0,0,0,1|0,0,1]=3 1886 B12R1.43 NC(Cc1c[n]c[n]c1)C(O)=O Amb18302429 [0,1,0,0,0,1|0,0,1]=3 1887 B12R1.43 NC(Cc1c[n]cc[n]1)C(O)=O Amb19000859 [0,1,0,0,0,1|0,0,1]=3 1888 B12R1.43 NC(Cc1cc[n]c[n]1)C(O)=O Amb19000856 [0,1,0,0,0,1|0,0,1]=3 1889 B12R1.43 NC(Cc1cc[n]cc1)C(O)=O Amb22728340 [0,1,0,0,0,1|1,0,1]=4 1890 B12R1.43 NC(Cc1ccc[n][n]1)C(O)=O Amb18827268 [0,1,0,0,0,1|1,0,0]=3 1891 B12R1.43 NC(Cc1ccc[n]c1)C(O)=O Amb22301544 [0,1,0,0,0,1|1,0,0]=3 1892 B12R1.43 NC(Cc1ccc[n]c1)C(O)=O Amb22497387 [0,1,0,0,0,1|1,0,0]=3 1893 B12R1.43 NC(Cc1cccc[n]1)C(O)=O Amb22234042 [0,1,0,0,0,1|1,0,0]=3 1894 B12R1.43 NC(Cc1ccccc1)C(O)=O Amb19958284 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.43 NC(Cc1ccccc1)[13C](O)=O Amb22363196 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.43 NC([13CH2]c1ccccc1)C(O)=O Amb22363309 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.43 N[13C@@H](Cc1ccccc1)C(O)=O Amb22351319 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.43 N[13CH](Cc1ccccc1)C(O)=O Amb22367538 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.43 N[14CH]([14CH2]c1ccccc1)[14C](O)=O Amb22352760 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.43 N[C@@H](CC=1CC=CCC1)C(O)=O Amb24080592 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.43 N[C@@H](C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22353689 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.43 N[C@@H](Cc1[n]ccc[n]1)C(O)=O Amb24524889 [0,1,0,0,0,1|1,0,0]=3 1903 B12R1.43 N[C@@H](Cc1c[n]c[n]c1)C(O)=O Amb19149168 [0,1,0,0,0,1|0,0,1]=3 1904 B12R1.43 N[C@@H](Cc1c[n]cc[n]1)C(O)=O Amb22801697 [0,1,0,0,0,1|0,0,1]=3 1905 B12R1.43 N[C@@H](Cc1cc[n]cc1)C(O)=O Amb20241997 [0,1,0,0,0,1|1,0,1]=4 1906 B12R1.43 N[C@@H](Cc1cc[n]cc1)C(O)=O Amb22745959 [0,1,0,0,0,1|1,0,1]=4 1907 B12R1.43 N[C@@H](Cc1ccc[n]c1)C(O)=O Amb22008701 [0,1,0,0,0,1|1,0,0]=3 1908 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O Amb22351110 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.43 N[C@H](Cc1c[n]cc[n]1)C(O)=O Amb24671229 [0,1,0,0,0,1|0,0,1]=3 1910 B12R1.43 N[C@H](Cc1cc[n]cc1)C(O)=O Amb19944301 [0,1,0,0,0,1|1,0,1]=4 1911 B12R1.43 N[C@H](Cc1ccc[n]c1)C(O)=O Amb19930749 [0,1,0,0,0,1|1,0,0]=3 1912 B12R1.43 N[C@H](Cc1ccc[n]c1)C(O)=O Amb22008700 [0,1,0,0,0,1|1,0,0]=3 1913 B12R1.43 OC(=O)C(=O)Cc1ccccn1 Amb17477815 [0,1,0,0,0,1|1,0,1]=4 1914 B12R1.43 OC(=O)C(=O)Cc1cccnc1 Amb17232515 [0,1,0,0,0,1|1,0,1]=4 1915 B12R1.43 OC(=O)C(=S)Cc1cccc[n]1 Amb25059246 [0,1,0,0,0,1|1,0,1]=4 1916 B12R1.43 OC(=O)C(Br)Cc1c[n]c[n]c1 Amb23571329 [0,1,0,0,0,1|0,0,1]=3 1917 B12R1.43 OC(=O)C(Cc1ccccc1)Br Amb16210937 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.43 OC(=O)C(Cc1ccccn1)O Amb17138619 [0,1,0,0,0,1|1,0,0]=3 1919 B12R1.43 OC(=O)C(O)Cc1c[n]c[n]c1 Amb25722221 [0,1,0,0,0,1|0,0,1]=3 1920 B12R1.43 OC(=O)C(S)Cc1cc[n]c[n]1 Amb24587068 [0,1,0,0,0,1|0,0,1]=3 1921 B12R1.43 OC(=O)C(S)Cc1cc[n]cc1 Amb18289016 [0,1,0,0,0,1|1,0,1]=4 1922 B12R1.43 OC(=O)C(S)Cc1ccc[n]c1 Amb18968269 [0,1,0,0,0,1|1,0,0]=3 1923 B12R1.43 OC(=O)C(S)Cc1cccc[n]1 Amb18289034 [0,1,0,0,0,1|1,0,0]=3 1924 B12R1.43 OC(=O)C(S)Cc1ccccc1 Amb18289035 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.43 OC(=O)C(Sc1ccccn1)C Amb1139396 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.43 OC(=O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.43 OC(=O)[C@@H](S)Cc1ccccc1 Amb25124079 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N Amb16231985 [0,1,0,0,0,1|1,0,0]=3 1929 B12R1.43 OC(=O)[C@H](Cl)Cc1ccccc1 Amb22225171 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.43 OC(=O)[C@H](F)Cc1ccccc1 Amb25061394 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.43 OC(=O)[C@H](O)Cc1c[n]ccc1 Amb24726274 [0,1,0,0,0,1|1,0,0]=3 1932 B12R1.43 OC(=O)[C@H](O)Cc1cc[n]cc1 Amb25260488 [0,1,0,0,0,1|1,0,1]=4 1933 B12R1.43 OC(C(=O)O)Cc1ccncc1 Amb17138620 [0,1,0,0,0,1|1,0,1]=4 1934 B12R1.43 [15NH2]C(Cc1ccccc1)C(O)=O Amb22338047 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.107 CC(=O)CC(C)c1c[n]ccc1 Amb24691286 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.107 CC(=O)CC(C)c1cc[n]c[n]1 Amb24580545 [0,1,0,0,0,1|1,0,1]=4 1937 B12R1.107 CC(=O)CC(C)c1cccc[n]1 Amb24370168 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.107 CC(=O)CC(c1ccccn1)O Amb1016907 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.107 CC(=O)C[C@@H](O)c1cccc[n]1 Amb25319984 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.107 CC(=O)C[C@H](C)c1c[n]ccc1 Amb25714386 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.107 CC(CC(O)=O)c1[n]ccc[n]1 Amb25135402 [0,1,0,0,0,1|1,0,0]=3 1942 B12R1.107 CC(CC(O)=O)c1c[n]cc[n]1 Amb24487345 [0,1,0,0,0,1|0,0,1]=3 1943 B12R1.107 CC(CC(O)=O)c1cc[n]c[n]1 Amb24589784 [0,1,0,0,0,1|0,0,1]=3 1944 B12R1.107 CC(c1ccccc1)CC(=O)O Amb1207393 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.107 CN(CC(O)=O)c1c[n]c[n]c1 Amb18268642 [0,1,0,0,0,1|1,0,1]=4 1946 B12R1.107 CN(CC(O)=O)c1cc[n]c[n]1 Amb18997546 [0,1,0,0,0,1|1,0,1]=4 1947 B12R1.107 CN(CC(O)=O)c1ccc[n]c1 Amb18268673 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.107 CN(CC(O)=O)c1cccc[n]1 Amb22275945 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.107 CN(c1cnccn1)CC(=O)O Amb1125195 [0,1,0,0,0,1|1,0,1]=4 1950 B12R1.107 CN(c1ncccn1)CC(=O)O Amb1130766 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O Amb10844340 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.107 C[C@H](c1ccccc1)CC(=O)O Amb10844379 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.107 NC(=O)CC(N)c1c[n]c[n]c1 Amb25340439 [0,1,0,0,0,1|1,0,1]=4 1954 B12R1.107 NC(=O)CC(N)c1cc[n]c[n]1 Amb25148501 [0,1,0,0,0,1|1,0,1]=4 1955 B12R1.107 NC(=O)C[C@@H](N)c1c[n]ccc1 Amb18792646 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.107 NC(=O)C[C@H](N)c1c[n]ccc1 Amb25137393 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.107 NC(=O)C[C@H](N)c1cc[n]c[n]1 Amb25765330 [0,1,0,0,0,1|1,0,1]=4 1958 B12R1.107 NC(=O)C[C@H](N)c1cccc[n]1 Amb25049883 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.107 NC(CC(O)=O)c1c[n]cc[n]1 Amb24377112 [0,1,0,0,0,1|0,0,1]=3 1960 B12R1.107 NC(CC(O)=O)c1cc[n]c[n]1 Amb25148500 [0,1,0,0,0,1|0,0,1]=3 1961 B12R1.107 NC(CC(O)=O)c1cccc[n]1 Amb22898991 [0,1,0,0,0,1|1,0,0]=3 1962 B12R1.107 NC(c1ccccc1)CC(=O)O Amb1048120 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.107 N[C@@H](CC(O)=O)c1c[n]c[n]c1 Amb25324427 [0,1,0,0,0,1|0,0,1]=3 1964 B12R1.107 N[C@@H](CC(O)=O)c1c[n]cc[n]1 Amb25800392 [0,1,0,0,0,1|0,0,1]=3 1965 B12R1.107 N[C@@H](CC(O)=O)c1cc[n]cc1 Amb19929593 [0,1,0,0,0,1|1,0,1]=4 1966 B12R1.107 N[C@@H](CC(O)=O)c1cc[n]cc1 Amb20240885 [0,1,0,0,0,1|1,0,1]=4 1967 B12R1.107 N[C@@H](CC(O)=O)c1ccc[n]c1 Amb19929600 [0,1,0,0,0,1|1,0,0]=3 1968 B12R1.107 N[C@@H](CC(O)=O)c1cccc[n]1 Amb20241102 [0,1,0,0,0,1|1,0,0]=3 1969 B12R1.107 N[C@H](CC(O)=O)c1cc[n]cc1 Amb19929602 [0,1,0,0,0,1|1,0,1]=4 1970 B12R1.107 N[C@H](CC(O)=O)c1cc[n]cc1 Amb20241136 [0,1,0,0,0,1|1,0,1]=4 1971 B12R1.107 N[C@H](CC(O)=O)c1ccc[n]c1 Amb19929601 [0,1,0,0,0,1|1,0,0]=3 1972 B12R1.107 N[C@H](CC(O)=O)c1cccc[n]1 Amb20241101 [0,1,0,0,0,1|1,0,0]=3 1973 B12R1.107 OC(=O)CC(Cl)c1cc[n]cc1 Amb18119876 [0,1,0,0,0,1|1,0,1]=4 1974 B12R1.107 OC(=O)CC(Cl)c1ccc[n]c1 Amb18119752 [0,1,0,0,0,1|1,0,0]=3 1975 B12R1.107 OC(=O)CC(Cl)c1cccc[n]1 Amb18120042 [0,1,0,0,0,1|1,0,0]=3 1976 B12R1.107 OC(=O)CC(Cl)c1ccccc1 Amb18120400 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.107 OC(=O)CC(F)c1ccc[n]c1 Amb25823686 [0,1,0,0,0,1|1,0,0]=3 1978 B12R1.107 OC(=O)CC(F)c1ccccc1 Amb24554792 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.107 OC(=O)CC(O)c1cc[n]cc1 Amb18563783 [0,1,0,0,0,1|1,0,1]=4 1980 B12R1.107 OC(=O)CC(O)c1cccc[n]1 Amb18563782 [0,1,0,0,0,1|1,0,0]=3 1981 B12R1.107 OC(=O)CC(S)c1ccccc1 Amb18303085 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.107 OC(=O)CC(c1ccccn1)Br Amb17596297 [0,1,0,0,0,1|1,0,0]=3 1983 B12R1.107 OC(=O)CC(c1cccnc1)N Amb1993735 [0,1,0,0,0,1|1,0,0]=3 1984 B12R1.125 CC(=O)CCC1=CC=CNC1=O Amb24404877 [0,1,0,0,0,1|2,0,0]=4 1985 B12R1.125 CC(=O)CCc1[n]cccc1Br Amb25703295 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.125 CC(=O)CCc1[n]cccc1O Amb24537666 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.125 CC(=O)CCc1c[n]ccc1Cl Amb25044219 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.125 CC(=O)CCc1ccc[n]c1Cl Amb25731066 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.125 CC(=O)CCc1ccc[n]c1N Amb25687160 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.125 Cc1[n]c[n]cc1CCC(O)=O Amb18827881 [0,1,0,0,0,1|0,0,1]=3 1991 B12R1.125 Cc1[n]cccc1CCC(C)=O Amb25859556 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.125 Cc1[n]cccc1CCC(O)=O Amb18853387 [0,1,0,0,0,1|1,0,0]=3 1993 B12R1.125 Cc1[n]cccc1OCC(O)=O Amb24729073 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.125 Cc1c[n]c[n]c1CCC(O)=O Amb18827882 [0,1,0,0,0,1|0,0,1]=3 1995 B12R1.125 Cc1c[n]c[n]c1OCC(O)=O Amb18826750 [0,1,0,0,0,1|1,0,1]=4 1996 B12R1.125 Cc1cc[n]cc1CCC(O)=O Amb18828438 [0,1,0,0,0,1|1,0,0]=3 1997 B12R1.125 Cc1ccc[n]c1OCC(O)=O Amb25154207 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.125 Cc1ccc[n]c1SCC(O)=O Amb18989775 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.125 Cc1nccnc1NCC(=O)O Amb17516799 [0,1,0,0,0,1|1,0,1]=4 2000 B12R1.125 Cc1nccnc1SCC(=O)O Amb17516121 [0,1,0,0,0,1|1,0,1]=4 2001 B12R1.125 NC(=O)CCc1[n]cccc1O Amb25760722 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.125 NC(=O)CNC1=NC=CNC1=O Amb24632322 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.125 Nc1[n]cc[n]c1SCC(O)=O Amb24467963 [0,1,0,0,0,1|1,0,1]=4 2004 B12R1.125 Nc1[n]cccc1CCC(O)=O Amb25124989 [0,1,0,0,0,1|1,0,0]=3 2005 B12R1.125 Nc1[n]cccc1OCC(O)=O Amb18290784 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.125 Nc1cc[n]cc1CCC(O)=O Amb24375593 [0,1,0,0,0,1|1,0,0]=3 2007 B12R1.125 Nc1ccc[n]c1NCC(O)=O Amb18989766 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.125 Nc1ccc[n]c1SCC(O)=O Amb18976381 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.125 Nc1ccccc1CCC(O)=O Amb24118035 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.125 OC(=O)CCC1=CC=CNC1=O Amb18262602 [0,1,0,0,0,1|1,0,0]=3 2011 B12R1.125 OC(=O)CCC1=CCCNC1=O Amb24443058 [0,1,0,0,0,1|1,0,1]=4 2012 B12R1.125 OC(=O)CCC1=CN=CNC1=O Amb23248037 [0,1,0,0,0,1|0,0,0]=2 2013 B12R1.125 OC(=O)CCC1=NN=CNC1=O Amb18034447 [0,1,0,0,0,1|0,0,0]=2 2014 B12R1.125 OC(=O)CCC1C=NC=NC1=O Amb18826807 [0,1,0,0,0,1|0,0,2]=4 2015 B12R1.125 OC(=O)CCN1C=CC=NC1=O Amb18989182 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.125 OC(=O)CCN1C=CC=NC1=O Amb19372721 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.125 OC(=O)CCN1N=CC=CC1=O Amb18998778 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.125 OC(=O)CCc1[n]cccc1F Amb25311377 [0,1,0,0,0,1|1,0,0]=3 2019 B12R1.125 OC(=O)CCc1c[n]c[n]c1Cl Amb18821790 [0,1,0,0,0,1|0,0,1]=3 2020 B12R1.125 OC(=O)CCc1c[n]ccc1Br Amb25253329 [0,1,0,0,0,1|1,0,0]=3 2021 B12R1.125 OC(=O)CCc1c[n]ccc1Cl Amb25270751 [0,1,0,0,0,1|1,0,0]=3 2022 B12R1.125 OC(=O)CCc1cc[n]cc1Cl Amb23596515 [0,1,0,0,0,1|1,0,1]=4 2023 B12R1.125 OC(=O)CCc1ccc[n]c1Br Amb24525068 [0,1,0,0,0,1|1,0,0]=3 2024 B12R1.125 OC(=O)CCc1ccc[n]c1Cl Amb24484270 [0,1,0,0,0,1|1,0,0]=3 2025 B12R1.125 OC(=O)CCc1ccc[n]c1F Amb25295347 [0,1,0,0,0,1|1,0,0]=3 2026 B12R1.125 OC(=O)CCc1ccccc1Cl Amb1209214 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.125 OC(=O)CCc1ccccc1I Amb10071543 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.125 OC(=O)CCc1ccccc1N Amb17477727 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.125 OC(=O)CCc1ccccc1O Amb1211927 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.125 OC(=O)CCc1ccccc1S Amb18648646 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.125 OC(=O)CNC1=NC=CNC1=O Amb25838922 [0,1,0,0,0,1|1,0,0]=3 2032 B12R1.125 OC(=O)CNc1[n]cccc1Br Amb25295571 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.125 OC(=O)CNc1[n]cccc1F Amb25777049 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.125 OC(=O)CNc1c[n]ccc1Cl Amb22495942 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.125 OC(=O)CNc1ccc[n]c1F Amb24615818 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.125 OC(=O)CNc1ncccc1Cl Amb2372425 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.125 OC(=O)COC1=CNC=NC1=O Amb25053897 [0,1,0,0,0,1|1,0,0]=3 2038 B12R1.125 OC(=O)COC1=NC=CNC1=O Amb25093931 [0,1,0,0,0,1|1,0,0]=3 2039 B12R1.125 OC(=O)COc1[n]c[n]cc1I Amb25697777 [0,1,0,0,0,1|1,0,1]=4 2040 B12R1.125 OC(=O)COc1[n]cccc1Cl Amb18649694 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.125 OC(=O)CSc1[n]c[n]cc1I Amb25150142 [0,1,0,0,0,1|1,0,1]=4 2042 B12R1.125 OC(=O)CSc1[n]cccc1Br Amb18979322 [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.125 OC(=O)CSc1[n]cccc1F Amb18996004 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.125 OC(=O)\C=C/C1=CN=CNC1=O Amb25241227 [0,1,0,0,0,1|0,0,2]=4 2045 B12R1.125 OC(=O)\C=C\C1=CN=CNC1=O Amb18646423 [0,1,0,0,0,1|0,0,2]=4 2046 B12R1.125 Oc1ccc[n]c1NCC(O)=O Amb18114848 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.125 Oc1ccc[n]c1SCC(O)=O Amb25798926 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.226 CC(=O)CCc1c[n]cc(F)c1 Amb25034788 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.226 CC(=O)CCc1cc[n]c(N)[n]1 Amb25174408 [0,1,0,0,0,1|1,0,1]=4 2050 B12R1.226 CC(=O)CCc1cccc(O)[n]1 Amb24605336 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.226 Cc1[n]c(CCC(O)=O)c[n][n]1 Amb18827290 [0,1,0,0,0,1|0,0,1]=3 2052 B12R1.226 Cc1[n]c(CCC(O)=O)cc[n]1 Amb24342069 [0,1,0,0,0,1|0,0,1]=3 2053 B12R1.226 Cc1[n]c(cc[n]1)NCC(O)=O Amb18997316 [0,1,0,0,0,1|1,0,1]=4 2054 B12R1.226 Cc1[n]c(cc[n]1)OCC(O)=O Amb25106840 [0,1,0,0,0,1|1,0,1]=4 2055 B12R1.226 Cc1[n]c(cc[n]1)SCC(O)=O Amb18997323 [0,1,0,0,0,1|1,0,1]=4 2056 B12R1.226 Cc1c[n]cc(CCC(O)=O)[n]1 Amb18827855 [0,1,0,0,0,1|0,0,1]=3 2057 B12R1.226 Cc1cc(CCC(C)=O)[n]c[n]1 Amb24566550 [0,1,0,0,0,1|1,0,1]=4 2058 B12R1.226 Cc1cc(CCC(N)=O)[n]cc1 Amb25858570 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.226 Cc1cc(CCC(O)=O)[n]c[n]1 Amb18827877 [0,1,0,0,0,1|0,0,1]=3 2060 B12R1.226 Cc1cc(CCC(O)=O)[n]cc1 Amb18828439 [0,1,0,0,0,1|1,0,0]=3 2061 B12R1.226 Cc1cc(CCC(O)=O)c[n]c1 Amb22886573 [0,1,0,0,0,1|1,0,0]=3 2062 B12R1.226 Cc1cc(CCC(O)=O)cc[n]1 Amb22886572 [0,1,0,0,0,1|1,0,1]=4 2063 B12R1.226 Cc1cc(NCC(=O)O)ncc1 Amb10597602 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.226 Cc1cc([n][n]c1)SCC(O)=O Amb25036242 [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.226 Cc1cc([n]c[n]1)OCC(O)=O Amb18826751 [0,1,0,0,0,1|1,0,1]=4 2066 B12R1.226 Cc1cc([n]cc1)OCC(O)=O Amb25154209 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.226 Cc1cc([n]cc1)SCC(O)=O Amb18982392 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.226 Cc1cc[n]c(CCC(O)=O)[n]1 Amb18862660 [0,1,0,0,0,1|1,0,0]=3 2069 B12R1.226 Cc1cc[n]c(NCC(O)=O)[n]1 Amb19000702 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.226 Cc1cc[n]c([n]1)OCC(O)=O Amb23585881 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.226 Cc1cccc([n]1)OCC(O)=O Amb24389213 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.226 NC(=O)CCc1c[n]cc(F)c1 Amb25821158 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.226 NC(=O)CCc1c[n]cc(O)c1 Amb25833308 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.226 NC(=O)CCc1cc(Br)cc[n]1 Amb24671371 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.226 NC(=O)CCc1cc(Cl)cc[n]1 Amb25046525 [0,1,0,0,0,1|2,0,0]=4 2076 B12R1.226 NC(=O)CNC1=CC(=O)NC=N1 Amb24384904 [0,1,0,0,0,1|2,0,0]=4 2077 B12R1.226 Nc1[n]c(CCC(O)=O)cc[n]1 Amb18827317 [0,1,0,0,0,1|0,0,1]=3 2078 B12R1.226 Nc1cc(CCC(O)=O)c[n]c1 Amb25760281 [0,1,0,0,0,1|1,0,0]=3 2079 B12R1.226 Nc1cc(CCC(O)=O)cc[n]1 Amb24105413 [0,1,0,0,0,1|1,0,1]=4 2080 B12R1.226 Nc1cc(NCC(O)=O)[n]cc1 Amb18295951 [0,1,0,0,0,1|2,0,0]=4 2081 B12R1.226 Nc1cc([n]c[n]1)SCC(O)=O Amb23247641 [0,1,0,0,0,1|1,0,1]=4 2082 B12R1.226 Nc1cc[n]c(CCC(O)=O)[n]1 Amb18827285 [0,1,0,0,0,1|1,0,0]=3 2083 B12R1.226 OC(=O)CCC1=CC(=O)C=CN1 Amb25230528 [0,1,0,0,0,1|1,0,1]=4 2084 B12R1.226 OC(=O)CCc1c[n]cc(Cl)c1 Amb25689846 [0,1,0,0,0,1|1,0,0]=3 2085 B12R1.226 OC(=O)CCc1c[n]cc(F)c1 Amb23450303 [0,1,0,0,0,1|1,0,0]=3 2086 B12R1.226 OC(=O)CCc1cc(F)cc[n]1 Amb22886576 [0,1,0,0,0,1|1,0,0]=3 2087 B12R1.226 OC(=O)CCc1cc[n]c(Br)c1 Amb24418909 [0,1,0,0,0,1|1,0,1]=4 2088 B12R1.226 OC(=O)CCc1cc[n]c(Cl)[n]1 Amb24346496 [0,1,0,0,0,1|0,0,1]=3 2089 B12R1.226 OC(=O)CCc1cccc(c1)Br Amb1209216 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.226 OC(=O)CCc1cccc(c1)C Amb1106242 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.226 OC(=O)CCc1cccc(c1)Cl Amb1672952 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.226 OC(=O)CCc1cccc(c1)F Amb1091868 [0,1,0,0,0,1|2,0,0]=4 2093 B12R1.226 OC(=O)CCc1cccc(c1)I Amb16232982 [0,1,0,0,0,1|2,0,0]=4 2094 B12R1.226 OC(=O)CNC1=CC(=O)NC=N1 Amb25826293 [0,1,0,0,0,1|1,0,0]=3 2095 B12R1.226 OC(=O)CNC=1C=CNC(=O)N1 Amb18647109 [0,1,0,0,0,1|1,0,0]=3 2096 B12R1.226 OC(=O)CNC=1C=NNC(=O)N1 Amb25114707 [0,1,0,0,0,1|1,0,0]=3 2097 B12R1.226 OC(=O)CNC=1NC=CC(=O)N1 Amb25178880 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.226 OC(=O)CNc1[n]c(Cl)cc[n]1 Amb19889637 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.226 OC(=O)CNc1c[n]cc(Br)c1 Amb24483737 [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.226 OC(=O)CNc1c[n]cc(Cl)[n]1 Amb19889628 [0,1,0,0,0,1|1,0,1]=4 2101 B12R1.226 OC(=O)CNc1cc(Br)cc[n]1 Amb24343807 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.226 OC(=O)CNc1cc(Cl)[n]c[n]1 Amb19889638 [0,1,0,0,0,1|1,0,1]=4 2103 B12R1.226 OC(=O)CNc1cc(Cl)c[n][n]1 Amb24351146 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.226 OC(=O)CNc1cc(Cl)cc[n]1 Amb24697669 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.226 OC(=O)CNc1cc[n]c(Cl)[n]1 Amb25859336 [0,1,0,0,0,1|1,0,1]=4 2106 B12R1.226 OC(=O)CNc1cccc(Br)[n]1 Amb22899453 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.226 OC(=O)CNc1cccc(Cl)[n]1 Amb25736170 [0,1,0,0,0,1|2,0,0]=4 2108 B12R1.226 OC(=O)COc1[n]c(Cl)cc[n]1 Amb24351162 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.226 OC(=O)COc1c[n]cc(Br)c1 Amb24271218 [0,1,0,0,0,1|2,0,0]=4 2110 B12R1.226 OC(=O)COc1c[n]cc(F)c1 Amb25760871 [0,1,0,0,0,1|2,0,0]=4 2111 B12R1.226 OC(=O)COc1cc(Br)cc[n]1 Amb18660970 [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.226 OC(=O)COc1cc[n]c(Cl)[n]1 Amb24596833 [0,1,0,0,0,1|1,0,1]=4 2113 B12R1.226 OC(=O)CSC=1C=NNC(=O)N1 Amb18531969 [0,1,0,0,0,1|1,0,0]=3 2114 B12R1.226 OC(=O)CSC=1NC(=O)C=CN1 Amb18023193 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.226 OC(=O)CSc1cccc(Cl)[n]1 Amb25835703 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.226 OC(=O)CSc1cncc(n1)Cl Amb10608613 [0,1,0,0,0,1|1,0,1]=4 2117 B12R1.226 OC(=O)CSc1nccc(=O)[nH]1 Amb1790919 [0,1,0,0,0,1|2,0,0]=4 2118 B12R1.226 OC(=O)CSc1nccc(n1)N Amb17594779 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.226 Oc1[n]c(CCC(O)=O)cc[n]1 Amb18826808 [0,1,0,0,0,1|0,0,1]=3 2120 B12R1.226 Oc1c[n]cc(CCC(O)=O)c1 Amb24435210 [0,1,0,0,0,1|1,0,0]=3 2121 B12R1.226 Oc1cc(CCC(O)=O)[n]c[n]1 Amb18862743 [0,1,0,0,0,1|0,0,1]=3 2122 B12R1.226 Oc1cc[n]c(CCC(O)=O)[n]1 Amb18862742 [0,1,0,0,0,1|1,0,0]=3 2123 B12R1.54 CC(CCC(O)=O)=C1C=CC=C1 Amb24470098 [0,1,0,0,0,1|2,0,0]=4 2124 B12R1.54 CC(NCC(O)=O)c1[n]cc[s]1 Amb21862141 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.54 CC(NCC(O)=O)c1c[s]c[n]1 Amb19648852 [0,1,0,0,0,1|1,0,0]=3 2126 B12R1.54 OC(=O)CCC(=O)c1[n]cco1 Amb18826234 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.54 OC(=O)CCC(=O)c1c[nH][n]c1 Amb18826765 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.54 OC(=O)CCC(=O)c1c[nH]cc1 Amb18563784 [0,1,0,0,0,1|1,0,0]=3 2129 B12R1.54 OC(=O)CCC(=O)c1c[n]c[s]1 Amb18822531 [0,1,0,0,0,1|1,0,1]=4 2130 B12R1.54 OC(=O)CCC(=O)c1c[n]co1 Amb18826237 [0,1,0,0,0,1|1,0,1]=4 2131 B12R1.54 OC(=O)CCC(=O)c1ccc[nH]1 Amb18646701 [0,1,0,0,0,1|1,0,1]=4 2132 B12R1.54 OC(=O)CCC(=O)c1cccs1 Amb1102808 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.54 OC(=O)CCC(=O)c1cco[n]1 Amb18826236 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.54 OC(=O)CCC(O)c1[n]c[n][s]1 Amb18821132 [0,1,0,0,0,1|1,0,1]=4 2135 B12R1.54 OC(=O)CCC(O)c1c[nH][n]c1 Amb18825764 [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.54 OC(=O)CCC(O)c1c[s]c[n]1 Amb18821626 [0,1,0,0,0,1|1,0,0]=3 2137 B12R1.54 OC(=O)CNC(=O)c1c[nH][n][n]1 Amb25187589 [0,1,0,0,0,1|1,0,1]=4 2138 B12R1.54 OC(=O)CNC(=O)c1c[nH]cc1 Amb18862739 [0,1,0,0,0,1|1,0,1]=4 2139 B12R1.54 OC(=O)CNC(=O)c1c[s]c[n]1 Amb19002012 [0,1,0,0,0,1|1,0,1]=4 2140 B12R1.105 CC(=N)NCCc1c[n](C)c[n]1 Amb25684955 [0,1,0,0,0,1|2,0,0]=4 2141 B12R1.105 CC(=O)NCCc1[n]c[n](C)[n]1 Amb24675827 [0,1,0,0,0,1|2,0,0]=4 2142 B12R1.105 CC(=O)NCCc1c[nH]c(N)[n]1 Amb18126517 [0,1,0,0,0,1|1,0,0]=3 2143 B12R1.105 CC(=O)NCCc1c[n](C)c[n]1 Amb24374032 [0,1,0,0,0,1|1,0,0]=3 2144 B12R1.105 C[n]1cc(CCCC(O)=O)cc1 Amb18563803 [0,1,0,0,0,1|1,0,0]=3 2145 B12R1.105 C[n]1cc(CNCC(O)=O)cc1 Amb18893574 [0,1,0,0,0,1|1,0,0]=3 2146 B12R1.105 C[n]1cc(\C=C\CC(O)=O)cc1 Amb18563676 [0,1,0,0,0,1|1,0,1]=4 2147 B12R1.105 C[n]1cc(c[n]1)NCCC(O)=O Amb18270304 [0,1,0,0,0,1|2,0,0]=4 2148 B12R1.105 C[n]1cc(c[n]1)OCCC(O)=O Amb23509502 [0,1,0,0,0,1|2,0,0]=4 2149 B12R1.105 C[n]1ccc(NCCC(O)=O)[n]1 Amb25674162 [0,1,0,0,0,1|2,0,0]=4 2150 B12R1.105 Cc1[nH][n]c(CCCC(O)=O)[n]1 Amb18788961 [0,1,0,0,0,1|1,0,0]=3 2151 B12R1.105 Cc1[n][n](CCCC(O)=O)c[n]1 Amb18254470 [0,1,0,0,0,1|1,0,1]=4 2152 B12R1.105 Cc1[n]c(CCCC(O)=O)[n]o1 Amb18825771 [0,1,0,0,0,1|2,0,0]=4 2153 B12R1.105 Cc1[n]c(CCCC(O)=O)[s][n]1 Amb18822060 [0,1,0,0,0,1|1,0,1]=4 2154 B12R1.105 Cc1[n]c(CCCC(O)=O)c[s]1 Amb18062603 [0,1,0,0,0,1|1,0,0]=3 2155 B12R1.105 Cc1[n]c(CCCC(O)=O)co1 Amb18826157 [0,1,0,0,0,1|1,0,0]=3 2156 B12R1.105 Cc1[n]c(NCCC(O)=O)[s][n]1 Amb24350314 [0,1,0,0,0,1|1,0,1]=4 2157 B12R1.105 Cc1[n]cc(CCCC(O)=O)[s]1 Amb18822435 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.105 Cc1c[nH]c(CCCC(O)=O)[n]1 Amb18862766 [0,1,0,0,0,1|2,0,0]=4 2159 B12R1.105 Cc1c[n]c(CCCC(O)=O)o1 Amb18826181 [0,1,0,0,0,1|2,0,0]=4 2160 B12R1.105 Cc1c[n]c(CNCC(O)=O)[s]1 Amb19648810 [0,1,0,0,0,1|2,0,0]=4 2161 B12R1.105 Cc1c[s]c(CCCC(O)=O)[n]1 Amb18863136 [0,1,0,0,0,1|2,0,0]=4 2162 B12R1.105 Cc1c[s]c(COCC(O)=O)[n]1 Amb23570604 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.105 Cc1cc(CCCC(O)=O)[n]o1 Amb18826180 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.105 Cc1cc(NCCC(O)=O)[n]o1 Amb18604606 [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.105 Cc1coc(CCCC(O)=O)[n]1 Amb18862808 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.105 Cc1nc(cs1)CNCC(=O)O Amb1110158 [0,1,0,0,0,1|1,0,0]=3 2167 B12R1.105 Cc1nc(cs1)CSCC(=O)O Amb2359893 [0,1,0,0,0,1|1,0,0]=3 2168 B12R1.105 N=C1N=C(SS1)SCCC(O)=O Amb20034517 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.105 NC(=N)NCCc1c[nH]c(S)[n]1 Amb25702488 [0,1,0,0,0,1|2,0,0]=4 2170 B12R1.105 Nc1[n]c(CCCC(O)=O)c[s]1 Amb20667817 [0,1,0,0,0,1|1,0,0]=3 2171 B12R1.105 Nc1[n]c(CCCC(O)=O)o[n]1 Amb18825451 [0,1,0,0,0,1|1,0,1]=4 2172 B12R1.105 Nc1c[n]c(CCCC(O)=O)o1 Amb18825729 [0,1,0,0,0,1|2,0,0]=4 2173 B12R1.105 OC(=O)CCCC1=CC(=O)NN1 Amb18825802 [0,1,0,0,0,1|2,0,0]=4 2174 B12R1.105 OC(=O)CCCC1=CC(=O)NO1 Amb18825459 [0,1,0,0,0,1|2,0,0]=4 2175 B12R1.105 OC(=O)CCCC=1CC(=O)NN1 Amb18825794 [0,1,0,0,0,1|2,0,0]=4 2176 B12R1.105 OC(=O)CCCC=1NC(=O)NN1 Amb19015044 [0,1,0,0,0,1|1,0,1]=4 2177 B12R1.105 OC(=O)CCC[n]1c[n]c(Cl)[n]1 Amb22803175 [0,1,0,0,0,1|1,0,1]=4 2178 B12R1.105 OC(=O)CCC[n]1cc(I)c[n]1 Amb23570858 [0,1,0,0,0,1|2,0,0]=4 2179 B12R1.105 OC(=O)CCCc1[n]c(Br)[n]o1 Amb18159145 [0,1,0,0,0,1|1,0,1]=4 2180 B12R1.105 OC(=O)CCCc1cc(Br)c[s]1 Amb18072087 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.105 OC(=O)CCNc1[n]c(Br)c[s]1 Amb25257837 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.105 OC(=O)CCNc1[n]c(Cl)c[s]1 Amb25156527 [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.105 OC(=O)CCSc1ccc(s1)Br Amb17083021 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.105 OC(=O)CCSc1ccc(s1)Cl Amb17083016 [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.105 OC(=O)CCSc1n[nH]c(n1)N Amb16417590 [0,1,0,0,0,1|1,0,0]=3 2186 B12R1.105 OC(=O)CNCc1ccc(Cl)[s]1 Amb20623627 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.105 OC(=O)CNCc1cnc(s1)Cl Amb10597611 [0,1,0,0,0,1|1,0,1]=4 2188 B12R1.105 OC(=O)CSCc1noc(n1)C Amb2372344 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.105 Oc1c[n][n](CCCC(O)=O)c1 Amb18825736 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.105 Oc1c[n]c(CCCC(O)=O)[nH]1 Amb18862835 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.130 C[n]1[n]c[n]c1COCC(O)=O Amb19028976 [0,1,0,0,0,1|1,0,1]=4 2192 B12R1.130 C[n]1cc[n]c1CCCC(O)=O Amb18826684 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.130 C[n]1cc[n]c1NCCC(O)=O Amb18793295 [0,1,0,0,0,1|2,0,0]=4 2194 B12R1.130 Cc1[nH][n]cc1CCCC(O)=O Amb18826658 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.130 Cc1[n]c[n][n]1CCCC(O)=O Amb18254481 [0,1,0,0,0,1|1,0,1]=4 2196 B12R1.130 Cc1[n]coc1CCCC(O)=O Amb18826176 [0,1,0,0,0,1|1,0,1]=4 2197 B12R1.130 Cc1[s]c[n]c1CCOC(C)=O Amb24065048 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.130 Cc1c[nH]cc1CCNC(C)=O Amb25859334 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.130 Cc1c[s]cc1NCCC(O)=O Amb24648001 [0,1,0,0,0,1|2,0,0]=4 2200 B12R1.130 Cc1cc[s]c1CCCC(O)=O Amb19019575 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.130 OC(=O)CCC[n]1[n]c[n]c1Br Amb22803186 [0,1,0,0,0,1|1,0,1]=4 2202 B12R1.130 OC(=O)CCC[n]1[n]c[n]c1Cl Amb22803174 [0,1,0,0,0,1|1,0,1]=4 2203 B12R1.130 OC(=O)CCC[n]1[n]ccc1Br Amb23539119 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.130 OC(=O)CCC[n]1[n]ccc1Cl Amb23539118 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.130 OC(=O)CCSc1nccn1C Amb10609844 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.130 OC(=O)CCSc1nccn1C Amb1136673 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.260 CC(CC(O)=O)Nc1[n]c[n][s]1 Amb25054988 [0,1,0,0,0,1|1,0,1]=4 2208 B12R1.260 CC(CC(O)=O)Nc1cc[s]c1 Amb25148926 [0,1,0,0,0,1|2,0,0]=4 2209 B12R1.260 CC(Cc1ccco1)CC(=O)O Amb17334712 [0,1,0,0,0,1|2,0,0]=4 2210 B12R1.260 CC(Cc1cccs1)CC(=O)O Amb17335692 [0,1,0,0,0,1|2,0,0]=4 2211 B12R1.260 CN(Cc1c[n]c[s]1)CC(O)=O Amb21862100 [0,1,0,0,0,1|1,0,1]=4 2212 B12R1.260 CN(Cc1cc[nH]c1)CC(O)=O Amb18862762 [0,1,0,0,0,1|1,0,0]=3 2213 B12R1.260 CN(Cc1ccc[s]1)CC(O)=O Amb22546269 [0,1,0,0,0,1|2,0,0]=4 2214 B12R1.260 C[C@@H](CC(O)=O)Sc1cccs1 Amb17686275 [0,1,0,0,0,1|2,0,0]=4 2215 B12R1.260 NC(Cc1c[n]c[s]1)CC(O)=O Amb18822048 [0,1,0,0,0,1|1,0,1]=4 2216 B12R1.260 NC(Cc1cc[nH]c1)CC(O)=O Amb18862760 [0,1,0,0,0,1|1,0,0]=3 2217 B12R1.260 NC(Cc1ccco1)CC(=O)O Amb17470474 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.260 NC(Cc1cccs1)CC(=O)O Amb17470677 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.260 N[C@@H](Cc1cc[s]c1)CC(O)=O Amb24106405 [0,1,0,0,0,1|2,0,0]=4 2220 B12R1.260 N[C@@H](Cc1ccc[s]1)CC(O)=O Amb22756754 [0,1,0,0,0,1|2,0,0]=4 2221 B12R1.260 N[C@H](Cc1ccc[s]1)CC(O)=O Amb24106410 [0,1,0,0,0,1|2,0,0]=4 2222 B12R1.260 OC(=O)CC(Br)Cc1ccc[s]1 Amb18111161 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.260 OC(=O)CC(Cl)Cc1ccc[s]1 Amb18111160 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.264 CC(CNc1[n]c[n][s]1)C(O)=O Amb25353377 [0,1,0,0,0,1|1,0,1]=4 2225 B12R1.264 CC(CNc1[n]cc[s]1)C(O)=O Amb18313326 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.264 CC(NCc1[nH]cc[n]1)C(O)=O Amb21972113 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.264 CC(NCc1[n]cc[s]1)C(O)=O Amb21972109 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.264 NC(CNc1cc[s]c1)C(O)=O Amb25340607 [0,1,0,0,0,1|2,0,0]=4 2229 B12R1.264 N[C@@H](CSc1[n]cc[s]1)C(O)=O Amb22351163 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.264 N[C@@H](CSc1ccc[s]1)C(O)=O Amb22351162 [0,1,0,0,0,1|2,0,0]=4 2231 B12R1.264 OC(=O)C(=O)CCc1c[nH][n]c1 Amb18826760 [0,1,0,0,0,1|2,0,0]=4 2232 B12R1.264 OC(=O)C(=O)CCc1cccs1 Amb16754796 [0,1,0,0,0,1|2,0,0]=4 2233 B12R1.264 OC(=O)C(=O)CCc1cco[n]1 Amb18826230 [0,1,0,0,0,1|2,0,0]=4 2234 B12R1.264 OC(=O)C(=O)NCc1c[nH][n][n]1 Amb25852450 [0,1,0,0,0,1|1,0,1]=4 2235 B12R1.264 OC(=O)C(=O)NCc1c[nH]c[n]1 Amb25137942 [0,1,0,0,0,1|0,0,1]=3 2236 B12R1.264 OC(=O)C(=O)NCc1c[s]c[n]1 Amb24483507 [0,1,0,0,0,1|1,0,1]=4 2237 B12R1.264 OC(=O)C(CCc1ccco1)C Amb17232664 [0,1,0,0,0,1|2,0,0]=4 2238 B12R1.264 OC(=O)C(CCc1ccco1)N Amb17470473 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.264 OC(=O)C(CCc1cccs1)C Amb17234091 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.264 OC(=O)C(CCc1cccs1)N Amb17470676 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.264 OC(=O)C(CCc1cnc[nH]1)N Amb17614988 [0,1,0,0,0,1|0,0,2]=4 2242 B12R1.264 OC(=O)[C@H](CCc1cnc[nH]1)N Amb17614987 [0,1,0,0,0,1|0,0,2]=4 2243 B12R1.477 COC(=O)CCCc1cc[s]c1 Amb22494756 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.477 COC(=O)NCCc1cscc1 Amb13821363 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.477 NCC(=O)NCCc1cc[nH]c1 Amb18893568 [0,1,0,0,0,1|2,0,0]=4 2246 B12R1.477 OCC(=O)NCCc1cccs1 Amb1110223 [0,1,0,0,0,1|2,0,0]=4 2247 B12R1.15 CC(NC(=O)CO)c1[n]c[nH][n]1 Amb25078806 [0,2,0,0,0,0|2,0,0]=4 2248 B12R1.15 COC(=O)CC(=O)c1c[nH]cc1 Amb18563786 [0,2,0,0,0,0|1,0,1]=4 2249 B12R1.15 COC(=O)CC(O)c1cc[s]c1 Amb22296206 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.15 COC(=O)CC(O)c1ccc[s]1 Amb22301486 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.15 COC(=O)CC(c1cccs1)C Amb17234093 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.15 COC(=O)CC(c1nccs1)C Amb17335763 [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.26 CCC(=O)CCc1cc[n](C)c1 Amb18862635 [0,2,0,0,0,0|2,0,0]=4 2254 B12R1.26 COC(=O)CCC1=CNC(=O)N1 Amb19550084 [0,2,0,0,0,0|0,0,1]=3 2255 B12R1.26 COC(=O)CC[n]1c[n]c(Br)[n]1 Amb24269225 [0,2,0,0,0,0|1,0,1]=4 2256 B12R1.26 COC(=O)CC[n]1c[n]c(Cl)[n]1 Amb24269222 [0,2,0,0,0,0|1,0,1]=4 2257 B12R1.26 COC(=O)CC[n]1cc(F)c[n]1 Amb23400565 [0,2,0,0,0,0|2,0,0]=4 2258 B12R1.26 COC(=O)CC[n]1cc(I)c[n]1 Amb22261457 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.26 COC(=O)CC[n]1ccc(Br)[n]1 Amb24269213 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.26 COC(=O)CC[n]1ccc(I)[n]1 Amb24269231 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.26 COC(=O)CCc1[nH][n]c(N)[n]1 Amb21959977 [0,2,0,0,0,0|1,0,1]=4 2262 B12R1.26 COC(=O)CCc1[n][nH]c(O)[n]1 Amb19652214 [0,2,0,0,0,0|1,0,0]=3 2263 B12R1.26 COC(=O)CCc1[n][nH]c(S)[n]1 Amb22348813 [0,2,0,0,0,0|1,0,0]=3 2264 B12R1.26 COC(=O)CCc1c[nH]c(=O)[nH]1 Amb1922110 [0,2,0,0,0,0|0,0,1]=3 2265 B12R1.26 COC(=O)CCc1c[s]c(N)[n]1 Amb22549376 [0,2,0,0,0,0|1,0,0]=3 2266 B12R1.26 COC(=O)CCc1csc(n1)Br Amb17412981 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.26 COC(=O)CCc1csc(n1)N Amb1812760 [0,2,0,0,0,0|1,0,0]=3 2268 B12R1.26 COC(=O)CCc1nc(n[nH]1)Br Amb19134517 [0,2,0,0,0,0|1,0,1]=4 2269 B12R1.26 COC(=O)CCc1nc(n[nH]1)Cl Amb19134516 [0,2,0,0,0,0|1,0,1]=4 2270 B12R1.26 COC(=O)CCc1nc(n[nH]1)N Amb15772383 [0,2,0,0,0,0|1,0,1]=4 2271 B12R1.26 COC(=O)CCc1scc(n1)C Amb17335761 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.26 COC(=O)CCn1cc(cn1)Br Amb16230275 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.26 COC(=O)CCn1ccc(n1)C Amb1933687 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.26 COC(=O)CCn1ncc(c1)C Amb16187003 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.26 COC(=O)NCc1c[n](C)[n][n]1 Amb24343612 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.26 COC(=O)\C=C/c1c[nH]c(F)[n]1 Amb24411569 [0,2,0,0,0,0|0,0,2]=4 2277 B12R1.26 C[n]1cc(CCC(=O)NO)c[n]1 Amb25072056 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.26 Cc1[nH]cc(\C=C\C(=O)OC)[n]1 Amb25264956 [0,2,0,0,0,0|0,0,2]=4 2279 B12R1.26 Cc1[n]c(CCC(=O)NC)c[s]1 Amb25216045 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.26 Cc1[n]c(CCC(=O)NN)c[s]1 Amb25270919 [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.26 Cc1[n]c(CCC(=O)NO)o[n]1 Amb25160307 [0,2,0,0,0,0|1,0,1]=4 2282 B12R1.26 Cc1[n]c(CNC(=O)OC)c[s]1 Amb24666136 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.26 Cc1[n]cc(CCC(=O)OC)[s]1 Amb23560088 [0,2,0,0,0,0|1,0,1]=4 2284 B12R1.26 Cc1ccc(CCC(=O)NO)[s]1 Amb24621483 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.26 Cc1ccc(CCC(=O)NO)o1 Amb25206959 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.51 CCNC(=O)NCc1c[nH]c[n]1 Amb24532645 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.51 CCOC(=O)CCc1[nH][n]c[n]1 Amb22410668 [0,2,0,0,0,0|1,0,1]=4 2288 B12R1.51 CCOC(=O)CCc1[nH]cc[n]1 Amb23401499 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.51 CCOC(=O)CCc1cc[s]c1 Amb22001102 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.51 C\C=C\C(=O)NCc1c[nH]c[n]1 Amb24532646 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.51 N#CCC(=O)NCc1c[nH]c[n]1 Amb25698557 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.51 O=C(C#CBr)NCc1c[nH]c[n]1 Amb25838408 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.108 CNC(=O)C(N)Cc1c[nH]c[n]1 Amb23443539 [0,2,0,0,0,0|1,0,0]=3 2294 B12R1.108 CNC(=O)C(N)Cc1c[s]c[n]1 Amb25104356 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.108 COC(=O)C(Cc1c[nH]cn1)N Amb2444649 [0,2,0,0,0,0|0,0,0]=2 2296 B12R1.108 COC(=O)C(Cc1ccco1)O Amb17138659 [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.108 COC(=O)C(Cc1cccs1)O Amb17139129 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.108 COC(=O)C(Cc1cnc[nH]1)N Amb10789312 [0,2,0,0,0,0|0,0,2]=4 2299 B12R1.108 COC(=O)C(Cc1nc[nH]c1)N Amb1154312 [0,2,0,0,0,0|0,0,0]=2 2300 B12R1.108 COC(=O)C(Cc1nccs1)C Amb17335762 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.108 COC(=O)C(N)C[n]1ccc[n]1 Amb18788967 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.108 COC(=O)[C@@H](Cc1nc[nH]c1)N Amb19135253 [0,2,0,0,0,0|0,0,0]=2 2303 B12R1.108 COC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb22748538 [0,2,0,0,0,0|0,0,0]=2 2304 B12R1.108 COC(=O)[C@@H](N)Cc1ccc[s]1 Amb19149172 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.108 COC(=O)[C@H](Cc1c[nH]cn1)Cl Amb17611956 [0,2,0,0,0,0|0,0,0]=2 2306 B12R1.108 COC(=O)[C@H](Cc1cnc[nH]1)N Amb17614975 [0,2,0,0,0,0|0,0,2]=4 2307 B12R1.108 NC(Cc1c[nH]c[n]1)C(O)=NO Amb25212280 [0,2,0,0,0,0|0,0,1]=3 2308 B12R1.108 NNC(=O)C(N)Cc1c[nH]c[n]1 Amb25806155 [0,2,0,0,0,0|1,0,0]=3 2309 B12R1.108 NNC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb24342006 [0,2,0,0,0,0|1,0,0]=3 2310 B12R1.108 N[C@@H](Cc1c[nH]c[n]1)C(=O)NO Amb25751742 [0,2,0,0,0,0|0,0,0]=2 2311 B12R1.353 COC(=O)CCc1[n]cc[n]1C Amb23440781 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.353 COC(=O)CCc1nonc1C Amb1102116 [0,2,0,0,0,0|1,0,1]=4 2313 B12R1.353 C[n]1c[n]cc1CCC(=O)NO Amb25188089 [0,2,0,0,0,0|0,0,2]=4 2314 B12R1.353 Cc1[nH]c[n]c1CNC(=O)C#C Amb25052840 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.353 Cc1[nH]c[n]c1CNC(=O)C=C Amb25194115 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.353 Cc1[nH]c[n]c1CNC(=O)CBr Amb25194123 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.353 Cc1[nH]c[n]c1CNC(=O)CC Amb24732827 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.353 Cc1[nH]c[n]c1CNC(=O)CCl Amb24676448 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.353 Cc1[nH]c[n]c1CNC(=O)OC Amb25686907 [0,2,0,0,0,0|1,0,0]=3 2320 B12R1.353 Cc1oc[n]c1CNC(=O)CO Amb25742077 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.104 CC(=O)C(C)Cc1c[n](C)cc1 Amb18862634 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.104 CC(C(=O)O)Cc1ccc(o1)C Amb17605842 [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.104 CC(C(=O)O)Cc1ccc(s1)C Amb17605840 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.104 CC(C(=O)O)Cc1nc(cs1)C Amb17335759 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.104 CC(C(=O)O)Cn1cc(cn1)Br Amb1945857 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.104 CC(C(=O)O)Cn1cc(cn1)Cl Amb1945810 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.104 CC(C[n]1cc(I)c[n]1)C(O)=O Amb20619872 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.104 CC(Cc1[n]cc(Cl)[s]1)C(O)=O Amb24642998 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.104 CC(Cc1[n]cc(I)[s]1)C(O)=O Amb24729872 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.104 CC(Cc1c[n](C)[n][n]1)C(O)=O Amb25836932 [0,2,0,0,0,0|1,0,0]=3 2331 B12R1.104 CC(Cc1c[s]c(Cl)[n]1)C(O)=O Amb24413710 [0,2,0,0,0,0|1,0,0]=3 2332 B12R1.104 CC(Cc1c[s]c(Cl)c1)C(O)=O Amb25032087 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.104 CC(Cc1cc(Br)c[s]1)C(O)=O Amb18981859 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.104 CC(Cc1cc(Cl)c[s]1)C(O)=O Amb24569327 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.104 CC(Cc1cc[n](C)[n]1)C(O)=O Amb25323721 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.104 CC(Cc1ccc(Br)[s]1)C(O)=O Amb18290324 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.104 CC(Cc1ccc(Br)o1)C(O)=O Amb25297998 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.104 CC(Cc1ccc(Cl)[s]1)C(O)=O Amb18290306 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.104 CC(Cc1coc(Br)c1)C(O)=O Amb25205667 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.104 C[n]1[n]c(C[C@H](N)C(O)=O)[n][n]1 Amb25378201 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.104 C[n]1[n]c(C[C@H](N)C(O)=O)c[n]1 Amb24456288 [0,2,0,0,0,0|1,0,1]=4 2342 B12R1.104 C[n]1c[n]c(CC(=O)C(O)=O)c1 Amb25345972 [0,2,0,0,0,0|0,0,1]=3 2343 B12R1.104 C[n]1c[n]c(CC(N)C(O)=O)[n]1 Amb18825702 [0,2,0,0,0,0|1,0,0]=3 2344 B12R1.104 C[n]1cc(CC(C)C(O)=O)c[n]1 Amb18986552 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.104 C[n]1cc(CC(F)C(O)=O)c[n]1 Amb25232505 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.104 C[n]1cc(CC(N)C(N)=O)[n][n]1 Amb24561961 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.104 C[n]1cc(CC(N)C(O)=O)[n][n]1 Amb19000860 [0,2,0,0,0,0|1,0,0]=3 2348 B12R1.104 C[n]1cc(CC(N)C(O)=O)c[n]1 Amb19429078 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.104 C[n]1cc(CC(N)C(O)=O)cc1 Amb18563843 [0,2,0,0,0,0|1,0,0]=3 2350 B12R1.104 C[n]1cc(CC(S)C(O)=O)c[n]1 Amb18968266 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n][n]1 Amb24699416 [0,2,0,0,0,0|1,0,0]=3 2352 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n]c1 Amb22747829 [0,2,0,0,0,0|0,0,0]=2 2353 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n]c1 Amb22801373 [0,2,0,0,0,0|0,0,0]=2 2354 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)c[n]1 Amb18801206 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)[n][n]1 Amb25737135 [0,2,0,0,0,0|1,0,0]=3 2356 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)[n]c1 Amb22349466 [0,2,0,0,0,0|0,0,0]=2 2357 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)c[n]1 Amb25740928 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.104 C[n]1ccc(CC(O)C(O)=O)[n]1 Amb24346569 [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.104 Cc1[nH]c(CC(Cl)C(O)=O)c[n]1 Amb25751346 [0,2,0,0,0,0|0,0,2]=4 2360 B12R1.104 Cc1[nH]c(CC(N)C(O)=O)c[n]1 Amb18826090 [0,2,0,0,0,0|0,0,2]=4 2361 B12R1.104 Cc1[nH]cc(C[C@@H](N)C(O)=O)[n]1 Amb22748498 [0,2,0,0,0,0|0,0,0]=2 2362 B12R1.104 Cc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb24710097 [0,2,0,0,0,0|0,0,0]=2 2363 B12R1.104 Cc1[n]c(CC(C)C(C)=O)c[s]1 Amb25825661 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.104 Cc1[n]c(CC(N)C(N)=O)c[s]1 Amb24434791 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.104 Cc1[n]c(CC(N)C(O)=O)[n]o1 Amb18198697 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.104 Cc1[n]c(C[C@@H](N)C(O)=O)c[s]1 Amb25667151 [0,2,0,0,0,0|1,0,0]=3 2367 B12R1.104 Cc1[n]cc(CC(C)C(O)=O)[s]1 Amb18302886 [0,2,0,0,0,0|1,0,1]=4 2368 B12R1.104 Cc1[n]cc(CC(N)C(O)=O)[s]1 Amb18822037 [0,2,0,0,0,0|1,0,1]=4 2369 B12R1.104 Cc1[n]cc(CC(S)C(O)=O)[s]1 Amb25773601 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.104 Cc1[n]cc(C[C@H](N)C(O)=O)[s]1 Amb24346493 [0,2,0,0,0,0|1,0,1]=4 2371 B12R1.104 Cc1c[n](CC(Cl)C(O)=O)[n]c1 Amb25122305 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.104 Cc1c[n](CC(F)C(O)=O)[n]c1 Amb25202400 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.104 Cc1c[n](CC(N)C(O)=O)[n]c1 Amb18984357 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.104 Cc1c[n](CC(N)C(O)=O)[n]c1 Amb24271205 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.104 Cc1c[n][n](CC(C)C(O)=O)c1 Amb18969539 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.104 Cc1c[n][n](CC(O)C(O)=O)c1 Amb25841940 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.104 Cc1c[n]c(CC(N)C(O)=O)[nH]1 Amb18826089 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.104 Cc1c[s]c(CC(F)C(O)=O)[n]1 Amb25200775 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.104 Cc1c[s]c(CC(N)C(O)=O)[n]1 Amb25149859 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.104 Cc1c[s]c(CC(O)C(O)=O)[n]1 Amb24341633 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.104 Cc1c[s]c(C[C@@H](N)C(O)=O)[n]1 Amb24450434 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.104 Cc1c[s]c(C[C@H](N)C(O)=O)[n]1 Amb25770644 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.104 Cc1cc(CC(C)C(O)=O)c[s]1 Amb25784531 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.104 Cc1cc(CC(N)C(O)=O)[n][nH]1 Amb18826087 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.104 Cc1cc(CC(N)C(O)=O)[n]o1 Amb18825740 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.104 Cc1cc(CC(N)C(O)=O)[s]c1 Amb18822423 [0,2,0,0,0,0|2,0,0]=4 2387 B12R1.104 Cc1cc(CC(N)C(O)=O)c[s]1 Amb24671343 [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.104 Cc1cc(CC(N)C(O)=O)co1 Amb18826155 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.104 Cc1cc(C[C@@H](N)C(O)=O)[s]c1 Amb24655792 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.104 Cc1cc(C[C@@H](N)C(O)=O)c[s]1 Amb24446585 [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.104 Cc1cc(C[C@H](N)C(O)=O)[s]c1 Amb25301961 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.104 Cc1ccc(CC(S)C(O)=O)[s]1 Amb18968188 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.104 Cc1ccc(CC(S)C(O)=O)o1 Amb18288979 [0,2,0,0,0,0|2,0,0]=4 2394 B12R1.104 Cc1ccc(C[C@@H](N)C(O)=O)[s]1 Amb19069333 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.104 Cc1ccc(C[C@@H](N)C(O)=O)o1 Amb18801199 [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.104 Cc1ccc(C[C@H](N)C(O)=O)[s]1 Amb24613636 [0,2,0,0,0,0|2,0,0]=4 2397 B12R1.104 Cc1ccc(C[C@H](N)C(O)=O)o1 Amb24380249 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.104 Cc1coc(CC(C)C(O)=O)[n]1 Amb24531573 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.104 Cc1coc(CC(N)C(O)=O)[n]1 Amb18825741 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.104 Cc1nc(cs1)CC(C(=O)O)N Amb17065744 [0,2,0,0,0,0|1,0,0]=3 2401 B12R1.104 Cn1cc(nc1)CC(C(=O)O)N Amb16233066 [0,2,0,0,0,0|0,0,0]=2 2402 B12R1.104 NC(C(=O)O)Cc1cnc([nH]1)S Amb17594852 [0,2,0,0,0,0|0,0,2]=4 2403 B12R1.104 NC(CC=1C=NC(=O)N1)C(O)=O Amb25289739 [0,2,0,0,0,0|0,0,1]=3 2404 B12R1.104 NC(CC=1C=NC(=S)N1)C(O)=O Amb25137256 [0,2,0,0,0,0|0,0,1]=3 2405 B12R1.104 NC(CC=1C=NC(S)N1)C(O)=O Amb25082817 [0,2,0,0,0,0|0,0,2]=4 2406 B12R1.104 NC(C[n]1cc(Br)c[n]1)C(O)=O Amb18984365 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.104 NC(C[n]1cc(Br)c[n]1)C(O)=O Amb24271207 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.104 NC(C[n]1cc(Cl)c[n]1)C(O)=O Amb18984361 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.104 NC(C[n]1cc(Cl)c[n]1)C(O)=O Amb24271206 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.104 NC(C[n]1cc(I)c[n]1)C(O)=O Amb25151054 [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.104 NC(Cc1c[nH]c(Br)[n]1)C(O)=O Amb25104250 [0,2,0,0,0,0|0,0,0]=2 2412 B12R1.104 NC(Cc1c[nH]c(O)[n]1)C(O)=O Amb25293793 [0,2,0,0,0,0|0,0,0]=2 2413 B12R1.104 NC(Cc1c[n]c(I)[s]1)C(O)=O Amb24342000 [0,2,0,0,0,0|1,0,1]=4 2414 B12R1.104 NC(Cc1c[s]c(I)[n]1)C(O)=O Amb25757229 [0,2,0,0,0,0|1,0,0]=3 2415 B12R1.104 NC(Cc1cc(Br)c[nH]1)C(O)=O Amb25734631 [0,2,0,0,0,0|1,0,1]=4 2416 B12R1.104 NC(Cc1ccc(Cl)o1)C(O)=O Amb19000858 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.104 NC(Cc1ccc(I)o1)C(O)=O Amb24341823 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.104 NC(Cc1coc(Br)c1)C(O)=O Amb25807466 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.104 NC=1NCC(CC(N)C(O)=O)N1 Amb25343273 [0,2,0,0,0,0|0,0,2]=4 2420 B12R1.104 NN1CN(CC(N)C(O)=O)N=C1 Amb25159602 [0,2,0,0,0,0|1,0,1]=4 2421 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(O)=O Amb19133014 [0,2,0,0,0,0|0,0,1]=3 2422 B12R1.104 N[C@@H](CC=1C=NC(=O)N1)C(O)=O Amb25281978 [0,2,0,0,0,0|0,0,1]=3 2423 B12R1.104 N[C@@H](CC=1C=NC(=S)N1)C(O)=O Amb24401476 [0,2,0,0,0,0|0,0,1]=3 2424 B12R1.104 N[C@@H](CC=1C=NC(S)N1)C(O)=O Amb25744577 [0,2,0,0,0,0|0,0,2]=4 2425 B12R1.104 N[C@@H](CC=1CN=C(S)N1)C(O)=O Amb25258420 [0,2,0,0,0,0|0,0,2]=4 2426 B12R1.104 N[C@@H](Cc1[n]cc(I)[s]1)C(O)=O Amb25704719 [0,2,0,0,0,0|2,0,0]=4 2427 B12R1.104 N[C@@H](Cc1c[nH]c(Br)[n]1)C(O)=O Amb24448385 [0,2,0,0,0,0|0,0,0]=2 2428 B12R1.104 N[C@@H](Cc1c[nH]c(Cl)[n]1)C(O)=O Amb25265735 [0,2,0,0,0,0|0,0,0]=2 2429 B12R1.104 N[C@@H](Cc1c[nH]c(O)[n]1)C(O)=O Amb24740842 [0,2,0,0,0,0|0,0,0]=2 2430 B12R1.104 N[C@@H](Cc1c[n](O)c[n]1)C(O)=O Amb24373913 [0,2,0,0,0,0|0,0,0]=2 2431 B12R1.104 N[C@@H](Cc1c[s]c(Br)c1)C(O)=O Amb25371112 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.104 N[C@@H](Cc1c[s]c(Cl)c1)C(O)=O Amb25138005 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.104 N[C@@H](Cc1cc(Cl)c[s]1)C(O)=O Amb25087999 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.104 N[C@@H](Cc1cc(I)c[nH]1)C(O)=O Amb24468334 [0,2,0,0,0,0|1,0,1]=4 2435 B12R1.104 N[C@@H](Cc1ccc(Br)[s]1)C(O)=O Amb22746252 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(O)=O Amb24488678 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.104 N[C@@H](Cc1coc(Br)c1)C(O)=O Amb24690262 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.104 N[C@H](CC1=CNC(=S)N1)C(O)=O Amb25827584 [0,2,0,0,0,0|0,0,1]=3 2439 B12R1.104 N[C@H](Cc1c[nH]c(I)[n]1)C(O)=O Amb25034861 [0,2,0,0,0,0|0,0,0]=2 2440 B12R1.104 N[C@H](Cc1c[s]c(Cl)c1)C(O)=O Amb24735847 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.104 N[C@H](Cc1cc(Br)c[s]1)C(O)=O Amb24431257 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.104 N[C@H](Cc1cc(Br)co1)C(O)=O Amb25223140 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.104 N[C@H](Cc1cc(I)c[nH]1)C(O)=O Amb24760307 [0,2,0,0,0,0|1,0,1]=4 2444 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(O)=O Amb25791878 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.104 N[C@H](Cc1ccc(Cl)[s]1)C(O)=O Amb24462225 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.104 Nc1[nH]c(C[C@@H](N)C(O)=O)c[n]1 Amb24420030 [0,2,0,0,0,0|0,0,2]=4 2447 B12R1.104 Nc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb25367260 [0,2,0,0,0,0|0,0,0]=2 2448 B12R1.104 Nc1[n]c(CC(N)C(O)=O)c[s]1 Amb25109207 [0,2,0,0,0,0|1,0,0]=3 2449 B12R1.104 Nc1[n]c(C[C@@H](N)C(O)=O)c[s]1 Amb25667550 [0,2,0,0,0,0|1,0,0]=3 2450 B12R1.104 Nc1[n]c[n](CC(N)C(O)=O)[n]1 Amb24724699 [0,2,0,0,0,0|1,0,1]=4 2451 B12R1.104 Nc1[n]cc(CC(N)C(O)=O)[s]1 Amb24677723 [0,2,0,0,0,0|1,0,1]=4 2452 B12R1.104 Nc1[n]cc(C[C@@H](N)C(O)=O)[s]1 Amb25771540 [0,2,0,0,0,0|1,0,1]=4 2453 B12R1.104 OC(=O)C(F)C[n]1cc(Cl)c[n]1 Amb24596002 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.104 OC(=O)C(F)Cc1[n]cc(Cl)[s]1 Amb24592985 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.104 OC(=O)C(F)Cc1[n]cc(I)[s]1 Amb24630642 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.104 OC(=O)C(F)Cc1cc(Cl)c[s]1 Amb25235039 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.104 OC(=O)C(F)Cc1ccc(Br)o1 Amb25200825 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.104 OC(=O)C(F)Cc1ccc(Cl)[s]1 Amb25248528 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.104 OC(=O)C(O)C[n]1cc(Cl)c[n]1 Amb25330070 [0,2,0,0,0,0|2,0,0]=4 2460 B12R1.104 OC(=O)C(O)Cc1c[s]c(Cl)c1 Amb24735871 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.104 OC(=O)C(O)Cc1ccc(Br)[s]1 Amb24376472 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.104 OC(=O)C(O)Cc1ccc(Cl)[s]1 Amb24483662 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.104 OC(=O)C(S)Cc1[n]cc(Cl)[s]1 Amb25688100 [0,2,0,0,0,0|2,0,0]=4 2464 B12R1.120 CC(C(C)C(O)=O)[n]1c[n]c[n]1 Amb24342009 [0,2,0,0,0,0|1,0,1]=4 2465 B12R1.120 CC(C(C)c1[n]c[nH][n]1)C(O)=O Amb24343507 [0,2,0,0,0,0|1,0,0]=3 2466 B12R1.120 CC(C(C)c1c[nH][n]c1)C(O)=O Amb18826646 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.120 CC(C(C)c1c[n]c[s]1)C(O)=O Amb18822430 [0,2,0,0,0,0|1,0,1]=4 2468 B12R1.120 CC(C(C)c1c[s]c[n]1)C(O)=O Amb18822431 [0,2,0,0,0,0|1,0,0]=3 2469 B12R1.120 CC(C(C)c1ccc[nH]1)C(O)=O Amb24343766 [0,2,0,0,0,0|1,0,1]=4 2470 B12R1.120 CC(C(C)c1ccc[s]1)C(O)=O Amb18822834 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.120 CC(C(C)c1ccco1)C(O)=O Amb18199302 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.120 CC(C(C)c1ccoc1)C(O)=O Amb25827964 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.120 CC(C(F)C(O)=O)c1ccc[s]1 Amb24569308 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.120 CC(C(O)c1ccc[s]1)C(O)=O Amb18990634 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.120 CC([C@H](N)C(O)=O)c1c[nH]c[n]1 Amb24365920 [0,2,0,0,0,0|0,0,0]=2 2476 B12R1.120 CC(c1c[nH]cn1)C(C(=O)O)N Amb2099484 [0,2,0,0,0,0|0,0,0]=2 2477 B12R1.120 C[C@@H]([C@H](N)C(O)=O)c1c[nH]c[n]1 Amb19890913 [0,2,0,0,0,0|0,0,0]=2 2478 B12R1.120 C[C@H]([C@@H](C)c1c[nH]c[n]1)C(O)=O Amb24745016 [0,2,0,0,0,0|0,0,0]=2 2479 B12R1.120 C[C@H]([C@H](O)c1ccco1)C(O)=O Amb25784032 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.120 NC(C(O)C(O)=O)c1ccc[s]1 Amb24587339 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.120 NC(C(O)C(O)=O)c1ccco1 Amb25246683 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.120 NC(C(O)c1c[nH]c[n]1)C(O)=O Amb18647466 [0,2,0,0,0,0|0,0,0]=2 2483 B12R1.120 NC(C(O)c1c[n]c[nH]1)C(O)=O Amb24118015 [0,2,0,0,0,0|0,0,2]=4 2484 B12R1.120 NC(C(O)c1c[n]c[s]1)C(O)=O Amb18821128 [0,2,0,0,0,0|1,0,1]=4 2485 B12R1.120 NC(C(O)c1c[s]cc1)C(O)=O Amb25273231 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.120 NC(C(O)c1ccc[s]1)C(O)=O Amb18649596 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.120 NC(C(O)c1ccc[s]1)C(O)=O Amb22461724 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.120 NC(C(O)c1cocc1)C(O)=O Amb24411867 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.120 N[C@@H](C(O)c1c[s]cc1)C(O)=O Amb24740870 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.120 N[C@@H]([C@@H](O)c1c[nH]c[n]1)C(O)=O Amb24443142 [0,2,0,0,0,0|0,0,0]=2 2491 B12R1.120 N[C@@H]([C@H](O)c1[nH]cc[n]1)C(O)=O Amb24726298 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.120 N[C@@H]([C@H](O)c1c[nH]c[n]1)C(O)=O Amb25321939 [0,2,0,0,0,0|0,0,0]=2 2493 B12R1.120 N[C@@H]([C@H](O)c1ccco1)C(O)=O Amb25059240 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.120 N[C@H]([C@@H](O)C(O)=O)c1ccc[s]1 Amb24727529 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.120 N[C@H]([C@@H](O)c1c[nH]c[n]1)C(O)=O Amb25667172 [0,2,0,0,0,0|0,0,0]=2 2496 B12R1.120 N[C@H]([C@H](O)c1c[nH]c[n]1)C(O)=O Amb25321938 [0,2,0,0,0,0|0,0,0]=2 2497 B12R1.120 OC(=O)C(C(c1ccco1)N)C Amb17470472 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.120 OC(=O)C(C(c1cccs1)N)C Amb17470675 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.145 CC(Cc1[s]ccc1Br)C(O)=O Amb18981853 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.145 CC(Cc1[s]ccc1Cl)C(O)=O Amb25303584 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.145 CC(Cc1cc[s]c1Cl)C(O)=O Amb25060880 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.145 CN1CNC=C1CC(N)C(O)=O Amb25134684 [0,2,0,0,0,0|0,0,2]=4 2503 B12R1.145 CN1CNC=C1C[C@H](N)C(O)=O Amb25300292 [0,2,0,0,0,0|0,0,2]=4 2504 B12R1.145 C[n]1[n]c[n]c1CC(N)C(O)=O Amb18825704 [0,2,0,0,0,0|1,0,1]=4 2505 B12R1.145 C[n]1[n]c[n]c1C[C@@H](N)C(O)=O Amb25366880 [0,2,0,0,0,0|1,0,1]=4 2506 B12R1.145 C[n]1c[n]cc1CC(Cl)C(O)=O Amb25363196 [0,2,0,0,0,0|0,0,2]=4 2507 B12R1.145 C[n]1c[n]cc1CC(N)C(O)=O Amb18647156 [0,2,0,0,0,0|0,0,2]=4 2508 B12R1.145 C[n]1c[n]cc1CC(S)C(O)=O Amb25106426 [0,2,0,0,0,0|0,0,2]=4 2509 B12R1.145 C[n]1c[n]cc1C[C@@H](N)C(O)=O Amb22757376 [0,2,0,0,0,0|0,0,2]=4 2510 B12R1.145 C[n]1cc[n]c1CC(C)C(O)=O Amb18826685 [0,2,0,0,0,0|2,0,0]=4 2511 B12R1.145 C[n]1cc[n]c1CC(F)C(O)=O Amb25736064 [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.145 C[n]1cc[n]c1CC(N)C(O)=O Amb18302430 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.145 Cc1[nH]c[n]c1C[C@H](N)C(O)=O Amb25069462 [0,2,0,0,0,0|0,0,0]=2 2514 B12R1.145 Cc1[n][nH]cc1CC(N)C(O)=O Amb18788970 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.145 Cc1[n]c[nH]c1CC(N)C(O)=O Amb18788969 [0,2,0,0,0,0|0,0,2]=4 2516 B12R1.145 Cc1[n]c[s]c1CC(C)C(O)=O Amb25213367 [0,2,0,0,0,0|1,0,1]=4 2517 B12R1.145 Cc1[n]c[s]c1CC(N)C(O)=O Amb18822033 [0,2,0,0,0,0|1,0,1]=4 2518 B12R1.145 Cc1[s]ccc1CC(N)C(O)=O Amb25040252 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.145 Cc1[s]ccc1C[C@H](N)C(O)=O Amb25780549 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.145 Cc1cc[n][n]1CC(N)C(O)=O Amb25724699 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.145 Cc1cc[s]c1CC(S)C(O)=O Amb18288971 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.145 Cc1cc[s]c1C[C@@H](N)C(O)=O Amb19069332 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.145 Cc1ccoc1CC(C)C(O)=O Amb25304965 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.145 Cc1ccoc1CC(F)C(O)=O Amb25034941 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.145 Cc1ccoc1CC(N)C(O)=O Amb18826171 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.145 Cc1ccoc1C[C@H](N)C(O)=O Amb24492875 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.145 Cc1cocc1CC(N)C(O)=O Amb18826156 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.145 Cc1nonc1CC(C(=O)O)N Amb10610297 [0,2,0,0,0,0|1,0,1]=4 2529 B12R1.145 Cc1occc1C[C@@H](N)C(O)=O Amb25124338 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.145 Cn1cncc1C[C@@H](C(=O)O)N Amb16226985 [0,2,0,0,0,0|0,0,2]=4 2531 B12R1.145 NC(CC1=CNNC1=O)C(O)=O Amb24604896 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.145 NC(CC1=NSNC1=O)C(O)=O Amb24365948 [0,2,0,0,0,0|1,0,0]=3 2533 B12R1.145 NC(C[n]1[n]ccc1Br)C(O)=O Amb24718713 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.145 NC(C[n]1[n]ccc1Cl)C(O)=O Amb24484306 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.145 NC(Cc1[nH]c[n]c1Cl)C(O)=O Amb25051372 [0,2,0,0,0,0|0,0,2]=4 2536 B12R1.145 NC(Cc1[nH]c[n]c1F)C(O)=O Amb24602470 [0,2,0,0,0,0|0,0,2]=4 2537 B12R1.145 NC(Cc1[n][nH]cc1Cl)C(O)=O Amb25149860 [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.145 NC(Cc1[n]c[nH]c1S)C(O)=O Amb24455117 [0,2,0,0,0,0|0,0,0]=2 2539 B12R1.145 NC(Cc1[n]cc[n]1O)C(O)=O Amb25667062 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.145 NC(Cc1c[n]c[n]1S)C(O)=O Amb25124770 [0,2,0,0,0,0|0,0,2]=4 2541 B12R1.145 NC(Cc1cc[s]c1Br)C(O)=O Amb25795560 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.145 NC(Cc1cc[s]c1Cl)C(O)=O Amb24399335 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.145 N[C@@H](CC1=CNOC1=O)C(O)=O Amb24602394 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.145 N[C@@H](CC1=CONC1=O)C(O)=O Amb24659818 [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.145 N[C@@H](Cc1[nH]c[n]c1S)C(O)=O Amb24431503 [0,2,0,0,0,0|0,0,2]=4 2546 B12R1.145 N[C@@H](Cc1[n]c[nH]c1Cl)C(O)=O Amb25072539 [0,2,0,0,0,0|0,0,0]=2 2547 B12R1.145 N[C@@H](Cc1[s]ccc1Br)C(O)=O Amb24615699 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.145 N[C@@H](Cc1[s]ccc1Cl)C(O)=O Amb25267667 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.145 N[C@@H](Cc1[s]ccc1I)C(O)=O Amb25364122 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.145 N[C@@H](Cc1cc[s]c1Br)C(O)=O Amb25335861 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.145 N[C@@H](Cc1cc[s]c1Cl)C(O)=O Amb24350624 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.145 N[C@@H](Cc1occc1Br)C(O)=O Amb25042979 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.145 N[C@H](CC1=CNOC1=O)C(O)=O Amb24398627 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.145 N[C@H](Cc1[nH]c[n]c1S)C(O)=O Amb25261624 [0,2,0,0,0,0|0,0,2]=4 2555 B12R1.145 N[C@H](Cc1[n]o[n]c1O)C(O)=O Amb25816187 [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.145 N[C@H](Cc1[s]ccc1I)C(O)=O Amb25148737 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.145 N[C@H](Cc1c[s]cc1Br)C(O)=O Amb25047496 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.145 N[C@H](Cc1cc[s]c1Br)C(O)=O Amb24600296 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.145 N[C@H](Cc1occc1Br)C(O)=O Amb25763211 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.145 OC(=O)C(F)Cc1[s]ccc1Cl Amb25200745 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.145 OC(=O)C(O)Cc1[s]ccc1Br Amb25071900 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.145 OC(=O)C(S)Cc1cc[s]c1Cl Amb25101106 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.266 NC(Cc1c[nH]c[n]1)P(O)(O)=O Amb25843961 [0,2,0,0,0,0|1,0,0]=3 2564 B12R1.298 CCC(C(=O)O)Cc1cscc1 Amb17605845 [0,2,0,0,0,0|2,0,0]=4 2565 B12R1.298 CN[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22745300 [0,2,0,0,0,0|0,0,0]=2 2566 B12R1.298 CSC(C[n]1ccc[n]1)C(O)=O Amb23440949 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.298 N#CC(C(=O)O)Cc1ccco1 Amb17090105 [0,2,0,0,0,0|2,0,0]=4 2568 B12R1.298 N#CC(C(=O)O)Cc1cccs1 Amb17090106 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.298 OC(=O)C(CS)Nc1[n][nH]c[n]1 Amb25804134 [0,2,0,0,0,0|2,0,0]=4 2570 B12R1.1373 CC(C)(C[n]1ccc[n]1)C(O)=O Amb25770318 [0,2,0,0,0,0|2,0,0]=4 2571 B12R1.1373 CC(C)(Cc1[n]cc[s]1)C(O)=O Amb25256843 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.1373 CC(C)(Cc1c[n]c[s]1)C(O)=O Amb25751685 [0,2,0,0,0,0|1,0,1]=4 2573 B12R1.1373 CC(C)(Cc1c[s][n][n]1)C(O)=O Amb25787515 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.1373 CC(C)(Cc1c[s]c[n]1)C(O)=O Amb18300537 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.1373 CC(C)(Cc1cc[nH]c1)C(O)=O Amb18563805 [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.1373 CC(C)(Cc1cc[s]c1)C(O)=O Amb18302688 [0,2,0,0,0,0|2,0,0]=4 2577 B12R1.1373 CC(C)(Cc1ccc[s]1)C(O)=O Amb18999501 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.1373 CC(C)(Cc1ccco1)C(O)=O Amb18303224 [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.1373 CC(C)(Cc1ccoc1)C(O)=O Amb25336532 [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.1373 CC(F)(C[n]1c[n]c[n]1)C(O)=O Amb24664438 [0,2,0,0,0,0|1,0,1]=4 2581 B12R1.1373 CC(F)(C[n]1ccc[n]1)C(O)=O Amb25270146 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.1373 CC(N)(C[n]1c[n]c[n]1)C(O)=O Amb18984352 [0,2,0,0,0,0|1,0,1]=4 2583 B12R1.1373 CC(N)(C[n]1c[n]c[n]1)C(O)=O Amb24271208 [0,2,0,0,0,0|1,0,1]=4 2584 B12R1.1373 CC(N)(C[n]1ccc[n]1)C(O)=O Amb18984348 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.1373 CC(N)(Cc1c[nH]c[n]1)C(O)=O Amb18647159 [0,2,0,0,0,0|0,0,0]=2 2586 B12R1.1373 CC(N)(Cc1c[nH]c[n]1)C(O)=O Amb22800481 [0,2,0,0,0,0|0,0,0]=2 2587 B12R1.1373 CC(N)(Cc1c[n]c[nH]1)C(O)=O Amb22362865 [0,2,0,0,0,0|0,0,2]=4 2588 B12R1.1373 CC(N)(Cc1cc[s]c1)C(O)=O Amb18649169 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.1373 CC(N)(Cc1ccc[nH]1)C(O)=O Amb24402356 [0,2,0,0,0,0|1,0,1]=4 2590 B12R1.1373 CC(O)(C[n]1ccc[n]1)C(O)=O Amb25294943 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.1373 C[C@](N)(Cc1ccc[s]1)C(O)=O Amb24711512 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.1373 NC(F)(Cc1c[n]c[nH]1)C(O)=O Amb24120402 [0,2,0,0,0,0|0,0,2]=4 2593 B12R1.1373 OC(=O)C(Cc1ccco1)(N)C Amb17232695 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.1373 OC(=O)C(Cc1cccs1)(N)C Amb17234195 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.2212 NC(CC1(Cl)C=NC=N1)C(O)=O Amb24358021 [0,2,0,0,0,0|0,0,2]=4 2596 B12R1.2212 NC(CC1(F)C=NC=N1)C(O)=O Amb24732222 [0,2,0,0,0,0|0,0,2]=4 2597 B12R1.59 C#Cc1c[n](CCC(O)=O)[n]c1 Amb20620041 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.59 C#Cc1cc[n](CCC(O)=O)[n]1 Amb24269261 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.59 CC[n]1cc(C#CC(O)=O)[n]c1 Amb25669791 [0,2,0,0,0,0|0,0,2]=4 2600 B12R1.59 CC[n]1cc(CCC(O)=O)[n]c1 Amb18862750 [0,2,0,0,0,0|0,0,0]=2 2601 B12R1.59 CCc1[nH]cc(CCC(O)=O)[n]1 Amb18064782 [0,2,0,0,0,0|0,0,0]=2 2602 B12R1.59 CCc1[n]c(CCC(O)=O)[n][s]1 Amb18822053 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.59 CCc1cc(CCC(O)=O)[n][nH]1 Amb18826662 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.59 CCc1coc(CCC(O)=O)[n]1 Amb18826167 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.59 CCc1csc(n1)CCC(=O)O Amb17139110 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.59 CCc1nc(co1)CCC(=O)O Amb17400298 [0,2,0,0,0,0|1,0,0]=3 2607 B12R1.59 CCc1onc(n1)CCC(=O)O Amb17081560 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.59 CNc1nc(cs1)CCC(=O)O Amb17234295 [0,2,0,0,0,0|1,0,0]=3 2609 B12R1.59 CSc1[n]c(CCC(O)=O)c[s]1 Amb18785330 [0,2,0,0,0,0|1,0,0]=3 2610 B12R1.59 N#Cc1[n][n](CCC(O)=O)c[n]1 Amb18999235 [0,2,0,0,0,0|1,0,1]=4 2611 B12R1.59 NCc1nc(cs1)CCC(=O)O Amb17335834 [0,2,0,0,0,0|1,0,0]=3 2612 B12R1.59 O=Cc1ccc(s1)CCC(=O)O Amb17401015 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.59 [C-]#[N+]C=1C=C(CC1)CCC(O)=O Amb25189516 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.103 CC(=C)CC(O)c1c[n](C)c[n]1 Amb25356675 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.103 CC(=O)CC(C)c1c[n](C)[n][n]1 Amb25107197 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.103 CC(=O)CC(C)c1c[n](C)c[n]1 Amb25245989 [0,2,0,0,0,0|1,0,0]=3 2617 B12R1.103 CC(CC(O)=O)[n]1cc(Br)c[n]1 Amb18971496 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.103 CC(CC(O)=O)[n]1cc(Cl)c[n]1 Amb18971484 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.103 CC(CC(O)=O)[n]1cc(I)c[n]1 Amb25369939 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.103 CC(CC(O)=O)c1[n][n][n](C)[n]1 Amb24516931 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.103 CC(CC(O)=O)c1c[n](C)c[n]1 Amb25198676 [0,2,0,0,0,0|0,0,0]=2 2622 B12R1.103 CC(CC(O)=O)c1cc(Br)c[s]1 Amb18072092 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.103 CC(CC(O)=O)c1cc[n](C)[n]1 Amb25159928 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.103 CC(CC(O)=O)c1cc[n](C)c1 Amb18563804 [0,2,0,0,0,0|1,0,0]=3 2625 B12R1.103 CC(CC(O)=O)c1ccc(Br)o1 Amb25200837 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.103 CC(c1ccc(s1)Br)CC(=O)O Amb17196547 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.103 CC(c1ccc(s1)Cl)CC(=O)O Amb17190845 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.103 CC(c1nc(cs1)C)CC(=O)O Amb17335760 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.103 CC(n1ccc(n1)C)CC(=O)O Amb10074523 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.103 C[n]1[n]c(c[n]1)[C@@H](N)CC(O)=O Amb25856752 [0,2,0,0,0,0|1,0,1]=4 2631 B12R1.103 C[n]1c[n]c(c1)[C@@H](N)CC(N)=O Amb25741196 [0,2,0,0,0,0|1,0,0]=3 2632 B12R1.103 C[n]1c[n]c(c1)[C@H](N)CC(N)=O Amb24660810 [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.103 C[n]1cc([n][n]1)C(N)CC(N)=O Amb25792258 [0,2,0,0,0,0|2,0,0]=4 2634 B12R1.103 C[n]1cc([n][n]1)C(N)CC(O)=O Amb25681641 [0,2,0,0,0,0|1,0,0]=3 2635 B12R1.103 C[n]1cc([n][n]1)[C@@H](N)CC(O)=O Amb25098524 [0,2,0,0,0,0|1,0,0]=3 2636 B12R1.103 C[n]1cc([n][n]1)[C@H](N)CC(N)=O Amb25832438 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.103 C[n]1cc([n]c1)[C@@H](N)CC(O)=O Amb25136688 [0,2,0,0,0,0|0,0,0]=2 2638 B12R1.103 C[n]1cc(c[n]1)[C@@H](N)CC(O)=O Amb18793288 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.103 C[n]1cc(c[n]1)[C@H](N)CC(O)=O Amb25734895 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.103 C[n]1cc(cc1)C(N)CC(O)=O Amb25372022 [0,2,0,0,0,0|1,0,0]=3 2641 B12R1.103 C[n]1cc(cc1)[C@@H](N)CC(O)=O Amb25280031 [0,2,0,0,0,0|1,0,0]=3 2642 B12R1.103 C[n]1cc(cc1)[C@H](N)CC(O)=O Amb25036281 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.103 C[n]1ccc([n]1)C(O)CC(O)=O Amb24686063 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.103 Cc1[nH]cc([n]1)C(N)CC(N)=O Amb25064287 [0,2,0,0,0,0|1,0,0]=3 2645 B12R1.103 Cc1[n]c([n]o1)C(C)CC(O)=O Amb24116884 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.103 Cc1[n]c(c[s]1)C(O)CC(O)=O Amb18821628 [0,2,0,0,0,0|1,0,0]=3 2647 B12R1.103 Cc1[n]c(c[s]1)[C@@H](N)CC(N)=O Amb25035116 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.103 Cc1[n]c(c[s]1)[C@@H](N)CC(O)=O Amb25823862 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.103 Cc1[n]c(c[s]1)[C@H](N)CC(O)=O Amb25149898 [0,2,0,0,0,0|1,0,0]=3 2650 B12R1.103 Cc1[n]cc([s]1)C(N)CC(O)=O Amb25099781 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.103 Cc1[n]cc([s]1)C(O)CC(O)=O Amb18821627 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.103 Cc1[n]cc([s]1)[C@H](N)CC(O)=O Amb25797263 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.103 Cc1[n]cc(o1)C(O)CC(O)=O Amb18198717 [0,2,0,0,0,0|1,0,1]=4 2654 B12R1.103 Cc1c[n][n](c1)C(C)CC(O)=O Amb18969538 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.103 Cc1c[n]c([s]1)C(N)CC(O)=O Amb25310359 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.103 Cc1c[n]c([s]1)[C@H](N)CC(O)=O Amb24624795 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.103 Cc1c[s]c([n]1)C(N)CC(O)=O Amb25082724 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.103 Cc1cc([n][nH]1)C(O)CC(O)=O Amb18825768 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.103 Cc1cc([n]o1)C(O)CC(O)=O Amb18198718 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.103 Cc1cc([s]c1)C(N)CC(O)=O Amb24426716 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.103 Cc1cc([s]c1)[C@@H](N)CC(O)=O Amb25314355 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.103 Cc1cc([s]c1)[C@H](N)CC(O)=O Amb24621793 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.103 Cc1cc(c[nH]1)C(N)CC(O)=O Amb24648191 [0,2,0,0,0,0|1,0,0]=3 2664 B12R1.103 Cc1cc(c[nH]1)[C@@H](N)CC(O)=O Amb25780878 [0,2,0,0,0,0|1,0,0]=3 2665 B12R1.103 Cc1cc(c[s]1)C(C)CC(O)=O Amb25695238 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.103 Cc1cc(c[s]1)[C@@H](N)CC(O)=O Amb25679841 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.103 Cc1cc(c[s]1)[C@H](N)CC(O)=O Amb24364778 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.103 Cc1cc(co1)C(N)CC(O)=O Amb25343705 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.103 Cc1cc(co1)[C@@H](N)CC(O)=O Amb25850217 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.103 Cc1cc(oc1)C(N)CC(O)=O Amb25105856 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.103 Cc1ccc([nH]1)[C@@H](N)CC(O)=O Amb25695590 [0,2,0,0,0,0|1,0,1]=4 2672 B12R1.103 Cc1ccc([nH]1)[C@H](N)CC(O)=O Amb24659848 [0,2,0,0,0,0|1,0,1]=4 2673 B12R1.103 Cc1ccc([s]1)[C@@H](N)CC(O)=O Amb18323197 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.103 Cc1ccc([s]1)[C@H](N)CC(O)=O Amb25095008 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.103 Cc1ccc(o1)C(CC(=O)O)N Amb2441394 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.103 Cc1ccc(o1)[C@@H](N)CC(O)=O Amb18793276 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.103 Cc1ccc(o1)[C@@H](N)CC(O)=O Amb19514934 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.103 Cc1ccc(o1)[C@H](N)CC(O)=O Amb25059364 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.103 Cc1coc([n]1)C(N)CC(O)=O Amb24405759 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.103 Cc1coc([n]1)C(O)CC(O)=O Amb18198721 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.103 NC(CC(O)=O)c1[n]cc(Cl)[s]1 Amb24581875 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.103 NC(CC(O)=O)c1[n]cc(I)[s]1 Amb25856024 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.103 NC(CC(O)=O)c1c[nH]c(Cl)c1 Amb25676718 [0,2,0,0,0,0|1,0,0]=3 2684 B12R1.103 NC(CC(O)=O)c1c[s]c(Br)c1 Amb25768125 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.103 NC(CC(O)=O)c1c[s]c(F)c1 Amb24704579 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.103 NC(CC(O)=O)c1cc(Cl)c[nH]1 Amb25296169 [0,2,0,0,0,0|1,0,1]=4 2687 B12R1.103 NC(CC(O)=O)c1cc(Cl)co1 Amb23537477 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.103 NC(CC(O)=O)c1cc(O)co1 Amb25188423 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.103 NC(CC(O)=O)c1cc(O)oc1 Amb25740538 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.103 NC(CC(O)=O)c1ccc(F)[s]1 Amb25676646 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.103 NC(CC(O)=O)c1ccc(I)[s]1 Amb25343556 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.103 N[C@@H](CC(O)=O)c1[n]cc(Cl)[s]1 Amb25156783 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.103 N[C@@H](CC(O)=O)c1[n]cc(I)[s]1 Amb24730431 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.103 N[C@@H](CC(O)=O)c1c[nH]c(Br)c1 Amb25762122 [0,2,0,0,0,0|1,0,0]=3 2695 B12R1.103 N[C@@H](CC(O)=O)c1c[nH]c(F)c1 Amb25826218 [0,2,0,0,0,0|1,0,0]=3 2696 B12R1.103 N[C@@H](CC(O)=O)c1c[s]c(F)c1 Amb24556010 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.103 N[C@@H](CC(O)=O)c1cc(Cl)co1 Amb25266350 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.103 N[C@@H](CC(O)=O)c1cc(F)c[nH]1 Amb25142415 [0,2,0,0,0,0|1,0,1]=4 2699 B12R1.103 N[C@@H](CC(O)=O)c1cc(F)co1 Amb24525823 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.103 N[C@@H](CC(O)=O)c1cc(O)[s]c1 Amb24643949 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.103 N[C@@H](CC(O)=O)c1cc(O)oc1 Amb25716846 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.103 N[C@@H](CC(O)=O)c1ccc(Br)[s]1 Amb25702027 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.103 N[C@@H](CC(O)=O)c1ccc(Br)o1 Amb24627512 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.103 N[C@@H](CC(O)=O)c1ccc(Cl)o1 Amb25669450 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.103 N[C@@H](CC(O)=O)c1ccc(F)[nH]1 Amb25816212 [0,2,0,0,0,0|1,0,1]=4 2706 B12R1.103 N[C@@H](CC(O)=O)c1ccc(O)[s]1 Amb25188250 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.103 N[C@@H](CC(O)=O)c1ccc(O)o1 Amb25045462 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.103 N[C@H](CC(O)=O)c1[n]cc(Cl)[s]1 Amb25358015 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.103 N[C@H](CC(O)=O)c1c[nH]c(Cl)c1 Amb24587915 [0,2,0,0,0,0|1,0,0]=3 2710 B12R1.103 N[C@H](CC(O)=O)c1c[s]c(Br)c1 Amb25800769 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.103 N[C@H](CC(O)=O)c1c[s]c(Cl)c1 Amb25801917 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.103 N[C@H](CC(O)=O)c1cc(Br)c[s]1 Amb25136932 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.103 N[C@H](CC(O)=O)c1cc(Br)co1 Amb25095354 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.103 N[C@H](CC(O)=O)c1cc(F)c[nH]1 Amb25694115 [0,2,0,0,0,0|1,0,1]=4 2715 B12R1.103 N[C@H](CC(O)=O)c1cc(I)c[nH]1 Amb24483638 [0,2,0,0,0,0|1,0,1]=4 2716 B12R1.103 N[C@H](CC(O)=O)c1cc(O)c[s]1 Amb24525666 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.103 N[C@H](CC(O)=O)c1cc(O)co1 Amb25722977 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.103 N[C@H](CC(O)=O)c1ccc(Br)[nH]1 Amb24531547 [0,2,0,0,0,0|1,0,1]=4 2719 B12R1.103 N[C@H](CC(O)=O)c1ccc(Br)[s]1 Amb24485192 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.103 N[C@H](CC(O)=O)c1ccc(Br)o1 Amb25136933 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.103 N[C@H](CC(O)=O)c1ccc(Cl)[s]1 Amb20667662 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.103 N[C@H](CC(O)=O)c1ccc(Cl)o1 Amb24737623 [0,2,0,0,0,0|2,0,0]=4 2723 B12R1.103 N[C@H](CC(O)=O)c1ccc(F)[s]1 Amb25722230 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.103 N[C@H](CC(O)=O)c1ccc(O)[nH]1 Amb25084922 [0,2,0,0,0,0|1,0,1]=4 2725 B12R1.103 N[C@H](CC(O)=O)c1ccc(O)[s]1 Amb24681361 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.103 Nc1cc([s]c1)C(N)CC(O)=O Amb25222226 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.103 Nc1cc([s]c1)[C@@H](N)CC(O)=O Amb25244749 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.103 Nc1cc(c[nH]1)C(N)CC(O)=O Amb25739780 [0,2,0,0,0,0|1,0,0]=3 2729 B12R1.103 Nc1cc(c[nH]1)[C@@H](N)CC(O)=O Amb25292512 [0,2,0,0,0,0|1,0,0]=3 2730 B12R1.103 Nc1cc(c[nH]1)[C@H](N)CC(O)=O Amb25188401 [0,2,0,0,0,0|1,0,0]=3 2731 B12R1.103 Nc1cc(c[s]1)[C@H](N)CC(O)=O Amb24699474 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.103 Nc1cc(co1)[C@H](N)CC(O)=O Amb25777820 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.103 Nc1cc(oc1)[C@H](N)CC(O)=O Amb24535450 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.103 Nc1ccc([nH]1)C(N)CC(O)=O Amb24592160 [0,2,0,0,0,0|1,0,1]=4 2735 B12R1.103 Nc1ccc([nH]1)[C@H](N)CC(O)=O Amb25700103 [0,2,0,0,0,0|1,0,1]=4 2736 B12R1.103 Nc1ccc([s]1)[C@H](N)CC(O)=O Amb24410004 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.103 Nc1ccc(o1)C(N)CC(O)=O Amb25072438 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.103 OC(=O)CC(O)c1[n]c(Cl)c[s]1 Amb24671998 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.103 OC(=O)CC(O)c1c[n]c(Cl)[s]1 Amb25816797 [0,2,0,0,0,0|1,0,1]=4 2740 B12R1.103 OC(=O)CC(O)c1cc(Br)co1 Amb24575760 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.110 CN1N=C(CC1=O)CCC(O)=O Amb18825798 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.110 CN1SC(NCC(O)=O)=NC1=O Amb24395527 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.110 C[n]1[n]c(CCC(O)=O)cc1O Amb24365974 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.110 C[n]1cc(CCC(O)=O)[n]c1Br Amb25248872 [0,2,0,0,0,0|0,0,0]=2 2745 B12R1.110 C[n]1cc(\C=C\C(O)=O)[n]c1S Amb18648900 [0,2,0,0,0,0|0,0,2]=4 2746 B12R1.110 Cc1[n]c(CCC(O)=O)[nH]c1C Amb18826655 [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.110 Cc1[n]c(CCC(O)=O)[n][n]1C Amb18862809 [0,2,0,0,0,0|1,0,0]=3 2748 B12R1.110 Cc1[n]c(CCC(O)=O)[s]c1Br Amb25141181 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.110 Cc1[n]c(CCC(O)=O)c[n]1C Amb18562823 [0,2,0,0,0,0|0,0,0]=2 2750 B12R1.110 Cc1[n]c(CCC(O)=O)oc1N Amb18825727 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.110 Cc1[n]c(CCC(O)=O)oc1O Amb25244763 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.110 Cc1[s]c(CCC(O)=O)cc1Br Amb25108870 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.110 Cc1oc(CCC(O)=O)cc1Br Amb23537729 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.110 Cc1oc(CCC(O)=O)cc1C Amb22732196 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.110 Nc1[n][n](CCC(O)=O)cc1Br Amb22280425 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.110 Nc1[n][n](CCC(O)=O)cc1I Amb24268879 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.110 Nc1[n][n](CCC(O)=O)cc1I Amb24492818 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.110 OC(=O)CCc1cc(Br)c(Cl)o1 Amb23539106 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.110 OC(=O)CCc1cc(Cl)c(Cl)[s]1 Amb23560506 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.110 OC(=O)CCc1nn(c(c1)C)C Amb17470467 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.110 OC(=O)CCc1oc(c(n1)C)C Amb17087660 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.110 OC(=O)CCc1sc(c(n1)C)C Amb17139109 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.110 OC(=O)CCn1cc(c(n1)C)Br Amb1933747 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.110 OC(=O)CCn1cc(c(n1)C)Cl Amb1945533 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.110 OC(=O)CCn1cc(c(n1)C)I Amb1945904 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.861 CC1=NC(CCC(O)=O)C(=O)O1 Amb24591817 [0,2,0,0,0,0|1,0,1]=4 2767 B12R1.861 CC=1CC(=O)N(CCC(O)=O)N1 Amb25189417 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.861 Cc1[nH]c(C)cc1CCC(C)=O Amb18893512 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.861 Cc1[n]c(C)c(CCC(O)=O)o1 Amb18826178 [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.861 Cc1[n]c(CCC(O)=O)[n](C)[n]1 Amb18300434 [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.861 Cc1[n]c(CCC(O)=O)c(C)[s]1 Amb18822436 [0,2,0,0,0,0|1,0,0]=3 2772 B12R1.861 Cc1[n]c(CCC(O)=O)c(C)o1 Amb18826177 [0,2,0,0,0,0|1,0,0]=3 2773 B12R1.861 Cc1[n]c(CCC(O)=O)c(O)o1 Amb24678745 [0,2,0,0,0,0|1,0,0]=3 2774 B12R1.861 Cc1c[n](C)[n]c1CCC(O)=O Amb18826656 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.861 Cc1cc(C)[n][n]1CCC(O)=O Amb22587713 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.861 Cc1cc(C)c(CCC(O)=O)[nH]1 Amb18646764 [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.861 Cc1cc(C)c(CCC(O)=O)o1 Amb25783929 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.861 Cc1cc(CCC(O)=O)[n](C)c1 Amb18827221 [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.861 Cc1cc(CCC(O)=O)c(C)[nH]1 Amb18893559 [0,2,0,0,0,0|1,0,0]=3 2780 B12R1.861 Cc1cc(CCC(O)=O)c(C)[s]1 Amb18292661 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.861 Cc1cc(N)[n][n]1CCC(O)=O Amb22280484 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.861 Cc1cc(NCC(O)=O)c(C)[nH]1 Amb24456832 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.861 Cc1cc(nn1CCC(=O)O)C Amb1098981 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.861 Cc1nc(sc1CCC(=O)O)C Amb17466108 [0,2,0,0,0,0|1,0,1]=4 2785 B12R1.861 Cc1nc(sc1CCC(=O)O)N Amb17208911 [0,2,0,0,0,0|1,0,1]=4 2786 B12R1.861 NC=1NC(=O)C(CCC(O)=O)N1 Amb25322510 [0,2,0,0,0,0|0,0,1]=3 2787 B12R1.861 Nc1[n]c(Br)[n](CCC(O)=O)[n]1 Amb25790396 [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.861 OC(=O)CCC1=CC(=O)OC1=O Amb25700915 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.861 OC(=O)CCC1NC(=O)NC1=O Amb2500868 [0,2,0,0,0,0|0,0,2]=4 2790 B12R1.861 OC(=O)CCN1OC(=O)NC1=O Amb25227412 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.861 OC(=O)CC[C@@H]1NC(=O)NC1=O Amb19517081 [0,2,0,0,0,0|0,0,2]=4 2792 B12R1.861 OC(=O)CCc1cc(Cl)[s]c1Cl Amb24651867 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.861 OC(=O)C\C=C/1\NC(=O)NC1=O Amb25751232 [0,2,0,0,0,0|0,0,2]=4 2794 B12R1.870 CC1=C(CCC(O)=O)NNC1=O Amb18825765 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.870 CC1=C(CCC(O)=O)ONC1=O Amb18198712 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.870 CC1=C(CNC1=O)CCC(O)=O Amb24433942 [0,2,0,0,0,0|1,0,1]=4 2797 B12R1.870 CN1C=CN(CCC(O)=O)C1=O Amb18825760 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.870 CN1C=NN(CCC(C)=O)C1=O Amb25378510 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.870 CN1C=NN(CCC(N)=O)C1=O Amb25703267 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.870 C[n]1[n]cc(CCC(O)=O)c1N Amb18826131 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.870 C[n]1c(Br)[n]cc1CCC(O)=O Amb24664790 [0,2,0,0,0,0|0,0,2]=4 2802 B12R1.870 Cc1[s][n]c(CCC(O)=O)c1C Amb18822438 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.870 Cc1c(Br)cnn1CCC(=O)O Amb1946336 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.870 Cc1c(CCC(=O)O)c[nH]c1C Amb17594174 [0,2,0,0,0,0|1,0,0]=3 2805 B12R1.870 Cc1c(CCC(=O)O)nnn1C Amb17538046 [0,2,0,0,0,0|1,0,0]=3 2806 B12R1.870 Cc1c(CCC(O)=O)[n]c[n]1C Amb24627997 [0,2,0,0,0,0|0,0,0]=2 2807 B12R1.870 Cc1c(CCC(O)=O)cc[n]1C Amb18827187 [0,2,0,0,0,0|1,0,0]=3 2808 B12R1.870 Cc1c(Cl)cnn1CCC(=O)O Amb1945918 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.870 Cc1c(I)cnn1CCC(=O)O Amb1945836 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.870 Cc1c(\C=C\C(O)=O)[n]c[n]1C Amb25216802 [0,2,0,0,0,0|0,0,2]=4 2811 B12R1.870 Cc1ccc(CCC(O)=O)[n]1C Amb18646767 [0,2,0,0,0,0|1,0,1]=4 2812 B12R1.870 Cc1onc(CCC(O)=O)c1C Amb17735102 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.870 Oc1c(CCC(O)=O)[s]cc1O Amb25217003 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.144 CC(CC(O)=O)c1[n]c[n][n]1C Amb25687246 [0,2,0,0,0,0|1,0,1]=4 2815 B12R1.144 CC(CC(O)=O)c1[s]ccc1Br Amb25834864 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.144 C[n]1cc[n]c1C(C)CC(O)=O Amb18826683 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.144 C[n]1cc[n]c1C(F)CC(O)=O Amb25702826 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.144 C[n]1cc[n]c1[C@H](N)CC(O)=O Amb24582961 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.144 C[n]1cccc1C(C)CC(O)=O Amb25295522 [0,2,0,0,0,0|1,0,1]=4 2820 B12R1.144 C[n]1cccc1[C@@H](N)CC(O)=O Amb25244750 [0,2,0,0,0,0|1,0,1]=4 2821 B12R1.144 Cc1[nH]ccc1C(N)CC(O)=O Amb25036343 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.144 Cc1[n][nH]cc1C(O)CC(O)=O Amb18825769 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.144 Cc1[n]c[nH]c1C(N)CC(O)=O Amb25757928 [0,2,0,0,0,0|0,0,2]=4 2824 B12R1.144 Cc1[n]c[s]c1C(O)CC(O)=O Amb18821629 [0,2,0,0,0,0|1,0,1]=4 2825 B12R1.144 Cc1[n]coc1C(O)CC(O)=O Amb18198719 [0,2,0,0,0,0|1,0,1]=4 2826 B12R1.144 Cc1[s]c[n]c1C(O)CC(O)=O Amb18821630 [0,2,0,0,0,0|1,0,0]=3 2827 B12R1.144 Cc1[s]ccc1C(C)CC(O)=O Amb24397434 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.144 Cc1[s]ccc1C(N)CC(O)=O Amb25845320 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.144 Cc1[s]ccc1[C@@H](N)CC(O)=O Amb25693380 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.144 Cc1[s]ccc1[C@H](N)CC(O)=O Amb25077564 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.144 Cc1c[nH]cc1[C@@H](N)CC(O)=O Amb25283210 [0,2,0,0,0,0|1,0,0]=3 2832 B12R1.144 Cc1c[nH]cc1[C@H](N)CC(O)=O Amb24414116 [0,2,0,0,0,0|1,0,0]=3 2833 B12R1.144 Cc1c[s]cc1[C@@H](N)CC(O)=O Amb25121974 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.144 Cc1c[s]cc1[C@H](N)CC(O)=O Amb25080083 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.144 Cc1cc[nH]c1C(N)CC(O)=O Amb25680530 [0,2,0,0,0,0|1,0,1]=4 2836 B12R1.144 Cc1cc[nH]c1[C@H](N)CC(O)=O Amb25675700 [0,2,0,0,0,0|1,0,1]=4 2837 B12R1.144 Cc1cc[s]c1[C@@H](N)CC(O)=O Amb19057939 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.144 Cc1cc[s]c1[C@H](N)CC(O)=O Amb24485242 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.144 Cc1ccoc1C(N)CC(O)=O Amb24687843 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.144 Cc1ccoc1C(O)CC(O)=O Amb25160399 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.144 Cc1ccoc1[C@H](N)CC(O)=O Amb24437413 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.144 Cc1cocc1[C@@H](N)CC(O)=O Amb25722091 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.144 Cc1occc1C(N)CC(O)=O Amb24430103 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.144 NC(CC(O)=O)c1[nH]ccc1Br Amb24430860 [0,2,0,0,0,0|1,0,1]=4 2845 B12R1.144 NC(CC(O)=O)c1[nH]ccc1Cl Amb24475040 [0,2,0,0,0,0|1,0,1]=4 2846 B12R1.144 NC(CC(O)=O)c1[s]ccc1Br Amb24756538 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.144 NC(CC(O)=O)c1[s]ccc1Cl Amb25104317 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.144 NC(CC(O)=O)c1[s]ccc1O Amb25669898 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.144 NC(CC(O)=O)c1c[nH]cc1Br Amb24648263 [0,2,0,0,0,0|1,0,0]=3 2850 B12R1.144 NC(CC(O)=O)c1c[nH]cc1F Amb24403769 [0,2,0,0,0,0|1,0,0]=3 2851 B12R1.144 NC(CC(O)=O)c1c[s]cc1Br Amb24399822 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.144 NC(CC(O)=O)c1cc[nH]c1Br Amb24379791 [0,2,0,0,0,0|1,0,0]=3 2853 B12R1.144 NC(CC(O)=O)c1cc[nH]c1Cl Amb24414871 [0,2,0,0,0,0|1,0,0]=3 2854 B12R1.144 NC(CC(O)=O)c1cc[nH]c1F Amb24688086 [0,2,0,0,0,0|1,0,0]=3 2855 B12R1.144 NC(CC(O)=O)c1cc[s]c1Br Amb24718518 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.144 NC(CC(O)=O)c1cc[s]c1F Amb25787355 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.144 NC(CC(O)=O)c1cc[s]c1O Amb24593932 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.144 NC(CC(O)=O)c1ccoc1Br Amb25296079 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.144 NC(CC(O)=O)c1ccoc1F Amb24748241 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.144 NC(CC(O)=O)c1ccoc1O Amb25266672 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.144 NC(CC(O)=O)c1cocc1Br Amb25856397 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.144 NC(CC(O)=O)c1cocc1O Amb25043734 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.144 NC(CC(O)=O)c1occc1Br Amb24497684 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.144 NC(CC(O)=O)c1occc1F Amb25129640 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.144 NC(CC(O)=O)c1occc1O Amb25680481 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.144 N[C@@H](CC(O)=O)c1[nH]ccc1Br Amb24386413 [0,2,0,0,0,0|1,0,1]=4 2867 B12R1.144 N[C@@H](CC(O)=O)c1[nH]ccc1O Amb25292513 [0,2,0,0,0,0|1,0,1]=4 2868 B12R1.144 N[C@@H](CC(O)=O)c1[s]ccc1Br Amb25669659 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.144 N[C@@H](CC(O)=O)c1[s]ccc1Cl Amb25856958 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.144 N[C@@H](CC(O)=O)c1[s]ccc1I Amb25751516 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.144 N[C@@H](CC(O)=O)c1c[nH]cc1Cl Amb24716331 [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.144 N[C@@H](CC(O)=O)c1c[nH]cc1F Amb24682050 [0,2,0,0,0,0|1,0,0]=3 2873 B12R1.144 N[C@@H](CC(O)=O)c1c[nH]cc1O Amb25198309 [0,2,0,0,0,0|1,0,0]=3 2874 B12R1.144 N[C@@H](CC(O)=O)c1c[s]cc1Br Amb24537703 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.144 N[C@@H](CC(O)=O)c1c[s]cc1Cl Amb24732142 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.144 N[C@@H](CC(O)=O)c1cc[nH]c1Br Amb24456915 [0,2,0,0,0,0|1,0,0]=3 2877 B12R1.144 N[C@@H](CC(O)=O)c1cc[nH]c1Cl Amb25763075 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.144 N[C@@H](CC(O)=O)c1cc[s]c1F Amb24455777 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.144 N[C@@H](CC(O)=O)c1ccoc1Cl Amb25316238 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.144 N[C@@H](CC(O)=O)c1ccoc1F Amb24464709 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.144 N[C@@H](CC(O)=O)c1cocc1Br Amb24456988 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.144 N[C@@H](CC(O)=O)c1occc1Br Amb25279920 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.144 N[C@H](CC(O)=O)c1[nH]ccc1F Amb24439306 [0,2,0,0,0,0|1,0,1]=4 2884 B12R1.144 N[C@H](CC(O)=O)c1[s]ccc1Cl Amb25736398 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.144 N[C@H](CC(O)=O)c1c[nH]cc1Br Amb25315874 [0,2,0,0,0,0|1,0,0]=3 2886 B12R1.144 N[C@H](CC(O)=O)c1c[s]cc1F Amb25083410 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.144 N[C@H](CC(O)=O)c1c[s]cc1O Amb25728155 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.144 N[C@H](CC(O)=O)c1cc[nH]c1Br Amb24680444 [0,2,0,0,0,0|1,0,0]=3 2889 B12R1.144 N[C@H](CC(O)=O)c1cc[nH]c1O Amb24401158 [0,2,0,0,0,0|1,0,0]=3 2890 B12R1.144 N[C@H](CC(O)=O)c1cc[s]c1Br Amb24397028 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.144 N[C@H](CC(O)=O)c1cc[s]c1F Amb24413566 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.144 N[C@H](CC(O)=O)c1ccoc1Br Amb24438545 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.144 N[C@H](CC(O)=O)c1ccoc1Cl Amb24615360 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.144 N[C@H](CC(O)=O)c1ccoc1F Amb24585843 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.144 N[C@H](CC(O)=O)c1cocc1Cl Amb25219801 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.144 N[C@H](CC(O)=O)c1cocc1O Amb25727345 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.144 N[C@H](CC(O)=O)c1occc1Cl Amb25826219 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.144 N[C@H](CC(O)=O)c1occc1F Amb25090440 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.144 Nc1c[s]cc1C(N)CC(O)=O Amb24397947 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.144 Nc1c[s]cc1[C@@H](N)CC(O)=O Amb25048460 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.144 Nc1c[s]cc1[C@H](N)CC(O)=O Amb25225406 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.144 Nc1cc[nH]c1C(N)CC(O)=O Amb24748232 [0,2,0,0,0,0|1,0,1]=4 2903 B12R1.144 Nc1cc[s]c1C(N)CC(O)=O Amb24734852 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.144 Nc1cc[s]c1[C@@H](N)CC(O)=O Amb24657541 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.144 Nc1ccoc1C(N)CC(O)=O Amb24735005 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.144 Nc1cocc1C(N)CC(O)=O Amb25855693 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.144 Nc1cocc1[C@@H](N)CC(O)=O Amb24680439 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.144 Nc1cocc1[C@H](N)CC(O)=O Amb24525544 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.144 Nc1occc1C(N)CC(O)=O Amb25831768 [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.144 Nc1occc1[C@@H](N)CC(O)=O Amb25135377 [0,2,0,0,0,0|2,0,0]=4 2911 B12R1.259 CC(=O)CC(C)(C)c1c[s]c[n]1 Amb24646115 [0,2,0,0,0,0|2,0,0]=4 2912 B12R1.259 CC(C)(CC(O)=O)c1c[s]c[n]1 Amb25718238 [0,2,0,0,0,0|1,0,0]=3 2913 B12R1.259 CC(C)(CC(O)=O)c1cc[nH]c1 Amb18893562 [0,2,0,0,0,0|1,0,0]=3 2914 B12R1.259 CC(F)(CC(O)=O)c1[n]c[n][s]1 Amb25239022 [0,2,0,0,0,0|1,0,1]=4 2915 B12R1.259 CC(F)(CC(O)=O)c1c[nH][n]c1 Amb24656607 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.259 CC(N)(CC(O)=O)c1[nH]cc[n]1 Amb25049423 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.259 CC(N)(CC(O)=O)c1cc[nH]c1 Amb18563844 [0,2,0,0,0,0|1,0,0]=3 2918 B12R1.259 CC(O)(CC(O)=O)c1[n]c[n][s]1 Amb18821131 [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.259 CC(O)(CC(O)=O)c1c[nH][n]c1 Amb18825763 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.259 CC(O)(CC(O)=O)c1c[nH]cc1 Amb18563895 [0,2,0,0,0,0|1,0,0]=3 2921 B12R1.259 CC(O)(CC(O)=O)c1c[n]c[s]1 Amb18821624 [0,2,0,0,0,0|1,0,1]=4 2922 B12R1.259 CC(O)(CC(O)=O)c1c[s]c[n]1 Amb18821625 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.259 CC(O)(CC(O)=O)c1ccc[nH]1 Amb25676537 [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.259 CC(O)(CC(O)=O)c1ccco1 Amb18825805 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.259 C[C@@](N)(CC(O)=O)c1[nH]cc[n]1 Amb25260761 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.259 C[C@@](N)(CC(O)=O)c1cc[s]c1 Amb25148574 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.259 C[C@@](N)(CC(O)=O)c1ccc[s]1 Amb24606169 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.259 C[C@@](N)(CC(O)=O)c1ccco1 Amb25063804 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.259 C[C@](N)(CC(O)=O)c1[nH]cc[n]1 Amb25141106 [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.259 C[C@](N)(CC(O)=O)c1ccco1 Amb24487308 [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.259 OC(=O)CC(c1cccs1)(N)C Amb17470679 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.259 OC(=O)CC(c1cccs1)(O)C Amb17139130 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.259 OC(=O)CS(=O)(=O)c1cc[nH]c1 Amb18863390 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.476 CCC(CC(O)=O)c1[nH]cc[n]1 Amb18826682 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.476 N#CC(c1ccco1)CC(=O)O Amb17400172 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.476 N#CC(c1cccs1)CC(=O)O Amb17400870 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.476 NCC(c1ccco1)CC(=O)O Amb17400304 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.476 NCC(c1cccs1)CC(=O)O Amb17401058 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.81 CCc1[n]coc1CCC(O)=O Amb18826168 [0,2,0,0,0,0|1,0,1]=4 2940 B12R1.81 CCc1[n]o[n]c1CCC(O)=O Amb18825738 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.81 CCc1c[nH]cc1CCC(=O)O Amb17594173 [0,2,0,0,0,0|1,0,0]=3 2942 B12R1.895 CC=1CNC(=O)C1CCC(O)=O Amb24440869 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.895 Cc1cc[n](C)c1CCC(O)=O Amb18827222 [0,2,0,0,0,0|1,0,1]=4 2944 B12R1.895 OC(=O)CCc1c(C)n[nH]c1C Amb1099194 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.895 OC(=O)CCc1c(C)n[nH]c1C Amb13948982 [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.895 OC(=O)CCc1c(O)[nH]nc1C Amb1094146 [0,2,0,0,0,0|2,0,0]=4 2947 B10R1.61 NC(=O)C1CC=CNC1=O Amb25374132 [0,0,1,1,0,0|2,0,0]=4 2948 B10R1.61 NC1=NC=CCC1C(O)=O Amb25348037 [0,0,1,1,0,0|0,0,2]=4 2949 B10R1.348 OC(=O)C1CCCNC=N1 Amb25343002 [0,0,1,1,0,0|0,0,2]=4 2950 B10R1.348 OC(=O)[C@@H]1CC=CCC=C1 Amb24411248 [0,0,1,1,0,0|2,0,0]=4 2951 B10R1.31 OC(=O)C1CC(C=O)=NN1 Amb25721545 [0,0,1,1,0,0|2,0,0]=4 2952 B10R1.59 C=C1CC(C(O)=O)C(=O)O1 Amb24689198 [0,0,1,1,0,0|2,0,0]=4 2953 B10R1.59 C=C1C[C@@H](N)[C@H](C1)C(O)=O Amb24560213 [0,0,1,1,0,0|1,0,1]=4 2954 B10R1.59 C=C1C[C@@H]([C@H](C1)C(=O)O)N Amb10071928 [0,0,1,1,0,0|1,0,1]=4 2955 B10R1.59 CC=1CC(C(O)=O)N(C)C1 Amb25122140 [0,0,1,1,0,0|1,0,1]=4 2956 B10R1.59 N[C@H]1CC(=C)C[C@H]1C(O)=O Amb17938168 [0,0,1,1,0,0|1,0,1]=4 2957 B10R2.5 NC1CC1c2c[nH]c[n]2 Amb25146138 [1,0,0,1,0,0|1,0,1]=4 2958 B10R2.5 NC1C[C@@H]1c2c[nH]c[n]2 Amb25757380 [1,0,0,1,0,0|1,0,1]=4 2959 B10R2.5 NC1C[C@H]1c2c[nH]c[n]2 Amb25327409 [1,0,0,1,0,0|1,0,1]=4 2960 B10R2.7 C1C=Cc2[nH]c[n]c2N1 Amb25299221 [1,0,0,1,0,0|2,0,0]=4 2961 B10R2.7 C1CCNc2[nH]c[n]c21 Amb24665785 [1,0,0,1,0,0|1,0,1]=4 2962 B10R2.7 C1CCc2c(C1)[nH]cn2 Amb1394884 [1,0,0,1,0,0|1,0,1]=4 2963 B10R2.7 C1NC=Nc2[nH]c[n]c21 Amb25785177 [1,0,0,1,0,0|2,0,0]=4 2964 B10R2.7 C1NCc2c(C1)nc[nH]2 Amb10067703 [1,0,0,1,0,0|2,0,0]=4 2965 B10R2.7 C1NCc2c(C1)nc[nH]2 Amb16187094 [1,0,0,1,0,0|2,0,0]=4 2966 B10R2.7 C1NCc2c(C1)nc[nH]2 Amb2449955 [1,0,0,1,0,0|2,0,0]=4 2967 B10R2.32 C1CC(=O)c2c1scc2 Amb2232897 [1,0,0,1,0,0|2,0,0]=4 2968 B10R2.32 O=C1CC[n]2[n]ccc21 Amb24079525 [1,0,0,1,0,0|2,0,0]=4 2969 B10R2.32 O=C1CCc2[nH]c[n]c21 Amb18832988 [1,0,0,1,0,0|0,0,2]=4 2970 B10R2.32 O=C1CCc2[n]o[n]c21 Amb18832930 [1,0,0,1,0,0|1,0,1]=4 2971 B10R2.32 O=C1CCc2c[n][nH]c21 Amb25286655 [1,0,0,1,0,0|2,0,0]=4 2972 B10R2.32 O=C1CCc2c[s]cc21 Amb18203009 [1,0,0,1,0,0|2,0,0]=4 2973 B10R2.32 O=C1CCc2cc[s]c21 Amb18203008 [1,0,0,1,0,0|2,0,0]=4 2974 B10R2.32 O=C1CCc2ccc[n]21 Amb24062043 [1,0,0,1,0,0|1,0,1]=4 2975 B10R2.32 O=C1CNc2c[nH]cc21 Amb18832989 [1,0,0,1,0,0|2,0,0]=4 2976 B10R2.32 O=C1CNc2cc[nH]c21 Amb18832991 [1,0,0,1,0,0|2,0,0]=4 2977 B10R2.32 O=C1NCc2c[nH]cc21 Amb24085541 [1,0,0,1,0,0|2,0,0]=4 2978 B10R2.32 O=C1NCc2cc[nH]c21 Amb18832990 [1,0,0,1,0,0|2,0,0]=4 2979 B10R2.32 O=C1OCc2c[nH]cc21 Amb24104717 [1,0,0,1,0,0|2,0,0]=4 2980 B10R2.136 C1CCC1c2c[nH]c[n]2 Amb24569264 [1,0,0,1,0,0|1,0,1]=4 2981 B10R2.193 C1OC1Cc2c[s]c[n]2 Amb25143297 [1,0,0,1,0,0|1,0,1]=4 2982 B10R2.2 O=C1Cc2c(C1)cc[nH]2 Amb13883726 [0,0,0,1,1,0|2,0,0]=4 2983 B12R2.22 O=C1CC(C1)c2c[n]cc[n]2 Amb24606497 [0,0,0,1,0,1|1,0,1]=4 2984 B12R2.22 O=C1CC(C1)c2ccc[n]c2 Amb25151161 [0,0,0,1,0,1|2,0,0]=4 2985 B12R2.22 O=C1CC(N1)c2cc[n]c[n]2 Amb25169482 [0,0,0,1,0,1|1,0,1]=4 2986 B12R2.22 O=C1CC(N1)c2ccc[n]c2 Amb25322297 [0,0,0,1,0,1|2,0,0]=4 2987 B12R2.24 O=C1CCc2[n]cccc2N1 Amb25095800 [0,0,0,1,0,1|2,0,0]=4 2988 B12R2.24 O=C1CCc2c[n]c[n]c2O1 Amb25685469 [0,0,0,1,0,1|0,0,1]=3 2989 B12R2.24 O=C1CCc2c[n]ccc2N1 Amb22899719 [0,0,0,1,0,1|2,0,0]=4 2990 B12R2.24 O=C1CCc2ccc[n]c2N1 Amb21960778 [0,0,0,1,0,1|2,0,0]=4 2991 B12R2.24 O=C1Cc2[n]c[n]cc2CC1 Amb24554237 [0,0,0,1,0,1|1,0,1]=4 2992 B12R2.24 O=C1Cc2[n]cccc2CC1 Amb22292032 [0,0,0,1,0,1|2,0,0]=4 2993 B12R2.24 O=C1Cc2c[n]c[n]c2CC1 Amb22494044 [0,0,0,1,0,1|1,0,1]=4 2994 B12R2.6 O=C1C=CC(O1)c2cc[nH]c2 Amb24528977 [0,0,0,1,0,1|1,0,1]=4 2995 B12R2.6 O=C1CC(CC1)c2c[s]c[n]2 Amb25031600 [0,0,0,1,0,1|2,0,0]=4 2996 B12R2.6 O=C1CC(CC1)c2cc[nH]c2 Amb25727884 [0,0,0,1,0,1|2,0,0]=4 2997 B12R2.6 O=C1CCC(=C1)c2c[nH]cc2 Amb25855040 [0,0,0,1,0,1|2,0,0]=4 2998 B12R2.6 O=C1CCC(O1)c2cccs2 Amb17334721 [0,0,0,1,0,1|2,0,0]=4 2999 B12R2.6 O=C1CNC(N1)c2c[s]c[n]2 Amb25762699 [0,0,0,1,0,1|2,0,0]=4 3000 B12R2.6 O=C1NCC(O1)c2cc[s]c2 Amb24509768 [0,0,0,1,0,1|2,0,0]=4 3001 B12R2.6 O=C1NCC(O1)c2ccco2 Amb17232113 [0,0,0,1,0,1|2,0,0]=4 3002 B12R2.6 O=C1NCC(O1)c2cccs2 Amb17232709 [0,0,0,1,0,1|2,0,0]=4 3003 B12R2.1354 CC(=O)C1CC1c2c[s]c[n]2 Amb24377274 [0,0,0,1,0,1|2,0,0]=4 3004 B12R2.1354 NC(=N)C1CC1c2c[nH]c[n]2 Amb24442950 [0,0,0,1,0,1|2,0,0]=4 3005 B12R2.1354 OC(=O)C1CC1c2[n]c[nH][n]2 Amb18177242 [0,0,0,1,0,1|1,0,0]=3 3006 B12R2.1354 OC(=O)C1CC1c2[n]cc[s]2 Amb25721481 [0,0,0,1,0,1|2,0,0]=4 3007 B12R2.1354 OC(=O)C1CC1c2c[n]c[nH]2 Amb25758590 [0,0,0,1,0,1|0,0,2]=4 3008 B12R2.1354 OC(=O)C1CC1c2c[n]c[s]2 Amb24488090 [0,0,0,1,0,1|1,0,1]=4 3009 B12R2.1354 OC(=O)C1CC1c2ccc[nH]2 Amb25376419 [0,0,0,1,0,1|1,0,1]=4 3010 B12R2.1354 OC(=O)[C@@H]1C[C@@H]1c2c[nH]c[n]2 Amb25236444 [0,0,0,1,0,1|0,0,0]=2 3011 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2c[n]c[s]2 Amb24654940 [0,0,0,1,0,1|1,0,1]=4 3012 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2cc[s]c2 Amb24552420 [0,0,0,1,0,1|2,0,0]=4 3013 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2ccc[s]2 Amb24552940 [0,0,0,1,0,1|2,0,0]=4 3014 B12R2.1354 OC(=O)[C@H]1C[C@H]1c2c[n]c[nH]2 Amb24644145 [0,0,0,1,0,1|0,0,2]=4 3015 B12R2.1362 OC(=O)C1CC[n]2[n]ccc21 Amb25217137 [0,0,0,1,0,1|2,0,0]=4 3016 B12R2.1362 OC(=O)C1CCc2[n][n][nH]c21 Amb25325244 [0,0,0,1,0,1|1,0,0]=3 3017 B12R2.1362 OC(=O)C1CCc2[n]c[nH]c21 Amb18201415 [0,0,0,1,0,1|0,0,0]=2 3018 B12R2.1362 OC(=O)C1CCc2[n]cc[n]21 Amb18201472 [0,0,0,1,0,1|2,0,0]=4 3019 B12R2.1362 OC(=O)C1CCc2[n]o[n]c21 Amb18200857 [0,0,0,1,0,1|1,0,1]=4 3020 B12R2.1362 OC(=O)C1CCc2[s]c[n]c21 Amb18199105 [0,0,0,1,0,1|1,0,1]=4 3021 B12R2.1362 OC(=O)C1CCc2c[n][nH]c21 Amb18201452 [0,0,0,1,0,1|2,0,0]=4 3022 B12R2.1362 OC(=O)C1CCc2c[n]c[n]21 Amb18201410 [0,0,0,1,0,1|0,0,2]=4 3023 B12R2.1362 OC(=O)C1CCc2c[s]cc21 Amb24695624 [0,0,0,1,0,1|2,0,0]=4 3024 B12R2.1362 OC(=O)c1o[n]c2[n]c[nH]c12 Amb18201208 [0,0,0,1,0,1|1,0,1]=4 3025 B12R2.83 O=C1CCc2[nH]ccc2CC1 Amb24643131 [0,1,0,1,0,0|2,0,0]=4 3026 B12R2.134 O[C@@H]1[C@@H](NC1=O)c2c[s]c[n]2 Amb25218242 [0,1,0,1,0,0|2,0,0]=4 3027 B12R2.252 OC(=O)C1CC2N=CNC2C1 Amb18831028 [0,1,0,1,0,0|0,0,2]=4 3028 B12R2.252 OC(=O)C1Cc2[nH][n]cc2C1 Amb18201455 [0,1,0,1,0,0|2,0,0]=4 3029 B12R2.252 OC(=O)C1Cc2[n][nH][n]c2C1 Amb24727624 [0,1,0,1,0,0|1,0,1]=4 3030 B12R2.252 OC(=O)C1Cc2[n]c[nH]c2C1 Amb18831212 [0,1,0,1,0,0|0,0,0]=2 3031 B12R2.252 OC(=O)C1Cc2[n]cc[n]2C1 Amb18201435 [0,1,0,1,0,0|2,0,0]=4 3032 B12R2.252 OC(=O)C1Cc2c(C1)ccs2 Amb10603806 [0,1,0,1,0,0|2,0,0]=4 3033 B12R2.252 OC(=O)C1Cc2c[n]c[n]2C1 Amb18201412 [0,1,0,1,0,0|0,0,2]=4 3034 B12R2.252 OC(=O)C1Cc2c[s]cc2C1 Amb24365365 [0,1,0,1,0,0|2,0,0]=4 3035 B12R2.252 OC(=O)C1Cc2cc[nH]c2C1 Amb25248942 [0,1,0,1,0,0|1,0,0]=3 3036 B12R2.252 OC(=O)C1Cc2cc[n][n]2C1 Amb18201417 [0,1,0,1,0,0|2,0,0]=4 3037 B12R2.252 OC(=O)C1Cc2ccoc2C1 Amb25248943 [0,1,0,1,0,0|2,0,0]=4 3038 B12R2.252 OC(=O)C1Cc2cocc2C1 Amb24079325 [0,1,0,1,0,0|2,0,0]=4 3039 B12R2.252 OC(=O)C=1Cc2[n]c[s]c2N1 Amb25275021 [0,1,0,1,0,0|1,0,1]=4 3040 B12R2.252 OC(=O)c1[n]c2[n]c[nH]c2[s]1 Amb18199119 [0,1,0,1,0,0|1,0,1]=4 3041 B12R2.252 OC(=O)c1cc2[n]c[nH]c2[nH]1 Amb18201805 [0,1,0,1,0,0|0,0,2]=4 3042 B12R2.252 OC(=O)c1cc2[n]c[nH]c2[s]1 Amb18199318 [0,1,0,1,0,0|0,0,2]=4 3043 B12R2.252 OC(=O)c1cc2[n]c[nH]c2o1 Amb18201491 [0,1,0,1,0,0|0,0,2]=4 3044 B12R2.76 C[n]1cc([n][n]1)C2CC(=O)N2 Amb24409754 [0,1,0,1,0,0|2,0,0]=4 3045 B12R2.132 C[n]1c[n]c2CCC(O)Cc12 Amb25308940 [0,1,0,1,0,0|1,0,1]=4 3046 B12R2.606 Cc1[nH]c2CC(O)CCc2[n]1 Amb18201328 [0,1,0,1,0,0|1,0,1]=4 3047 B12R2.606 Nc1[n]c2CCC(=O)Cc2[s]1 Amb18126527 [0,1,0,1,0,0|2,0,0]=4 3048 B12R2.606 Nc1[n]c2CCC(=O)Cc2o1 Amb24511703 [0,1,0,1,0,0|2,0,0]=4 3049 B12R2.606 O=C1Cc2[s]c(Cl)[n]c2CC1 Amb24065502 [0,1,0,1,0,0|2,0,0]=4 3050 B8R0.5 C=C(CC=C)CC(O)=O Amb25261334 [0,0,1,0,1,0|2,0,0]=4 3051 B8R0.5 CNNC(=N)CC(O)=O Amb25226519 [0,0,1,0,1,0|1,0,1]=4 3052 B8R1.7 CC(=O)c1c[nH]c[n]1 Amb20241216 [0,0,0,0,2,0|1,0,0]=3 3053 B8R1.7 CC(=O)c1coc[n]1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 3054 B8R1.7 CC(O)c1c[nH]c[n]1 Amb22886902 [0,0,0,0,2,0|1,0,1]=4 3055 B8R1.7 CC(O)c1c[nH]c[n]1 Amb24399468 [0,0,0,0,2,0|1,0,1]=4 3056 B8R1.7 C[C@@H](O)c1c[nH]c[n]1 Amb25296818 [0,0,0,0,2,0|1,0,1]=4 3057 B8R1.7 C[C@H](O)c1c[nH]c[n]1 Amb25833712 [0,0,0,0,2,0|1,0,1]=4 3058 B8R1.7 N=C(O)c1coc[n]1 Amb21928044 [0,0,0,0,2,0|2,0,0]=4 3059 B8R1.7 NC(=O)c1c[nH][n][n]1 Amb20668375 [0,0,0,0,2,0|2,0,0]=4 3060 B8R1.7 NC(=O)c1cc[nH]c1 Amb18893397 [0,0,0,0,2,0|2,0,0]=4 3061 B8R1.7 NC(=O)c1coc[n]1 Amb21857139 [0,0,0,0,2,0|2,0,0]=4 3062 B8R1.7 NC(=O)c1n[nH]cn1 Amb1773102 [0,0,0,0,2,0|2,0,0]=4 3063 B8R1.7 O=C(Br)c1c[s]c[n]1 Amb25745645 [0,0,0,0,2,0|2,0,0]=4 3064 B8R1.7 O=C(Cl)C1=CCC=N1 Amb24518840 [0,0,0,0,2,0|2,0,0]=4 3065 B8R1.7 O=C(Cl)c1coc[n]1 Amb23440854 [0,0,0,0,2,0|2,0,0]=4 3066 B8R1.7 O=S(Cl)c1c[nH]c[n]1 Amb24646432 [0,0,0,0,2,0|2,0,0]=4 3067 B8R1.7 OB(O)c1c[nH]c[n]1 Amb20247925 [0,0,0,0,2,0|1,0,1]=4 3068 B8R1.7 OC(=O)C1=CC=CC1 Amb10574923 [0,0,0,0,2,0|2,0,0]=4 3069 B8R1.7 OC(=O)C1=CN=S=N1 Amb17798585 [0,0,0,0,2,0|1,0,1]=4 3070 B8R1.7 OC(=O)C1CNC=N1 Amb25247319 [0,0,0,0,2,0|0,0,2]=4 3071 B8R1.7 OC(=O)C=1C=CCN1 Amb25178644 [0,0,0,0,2,0|1,0,1]=4 3072 B8R1.7 OC(=O)C=1CC=CC1 Amb24553923 [0,0,0,0,2,0|2,0,0]=4 3073 B8R1.7 OC(=O)C=1CN=CN1 Amb22229764 [0,0,0,0,2,0|0,0,2]=4 3074 B8R1.7 OC(=O)c1[n]c[n][s]1 Amb18203206 [0,0,0,0,2,0|1,0,1]=4 3075 B8R1.7 OC(=O)c1[n]cco1 Amb22899196 [0,0,0,0,2,0|2,0,0]=4 3076 B8R1.7 OC(=O)c1c[nH]cn1 Amb1969735 [0,0,0,0,2,0|0,0,0]=2 3077 B8R1.7 OC(=O)c1c[nH]nc1 Amb10610070 [0,0,0,0,2,0|2,0,0]=4 3078 B8R1.7 OC(=O)c1c[nH]nc1 Amb1934821 [0,0,0,0,2,0|2,0,0]=4 3079 B8R1.7 OC(=O)c1c[s]c[n]1 Amb21953919 [0,0,0,0,2,0|1,0,0]=3 3080 B8R1.7 OC(=O)c1cc[nH]c1 Amb17942956 [0,0,0,0,2,0|1,0,0]=3 3081 B8R1.7 OC(=O)c1cc[s][n]1 Amb19894963 [0,0,0,0,2,0|2,0,0]=4 3082 B8R1.7 OC(=O)c1ccc[nH]1 Amb1154382 [0,0,0,0,2,0|1,0,1]=4 3083 B8R1.7 OC(=O)c1ccc[pH]1 Amb24690352 [0,0,0,0,2,0|1,1,0]=4 3084 B8R1.7 OC(=O)c1ccc[s]1 Amb22730855 [0,0,0,0,2,0|2,0,0]=4 3085 B8R1.7 OC(=O)c1cn[nH]n1 Amb17622050 [0,0,0,0,2,0|1,0,1]=4 3086 B8R1.7 OC(=O)c1cnco1 Amb1158212 [0,0,0,0,2,0|1,0,1]=4 3087 B8R1.7 OC(=O)c1cncs1 Amb1158214 [0,0,0,0,2,0|1,0,1]=4 3088 B8R1.7 OC(=O)c1cnsn1 Amb1091970 [0,0,0,0,2,0|1,0,1]=4 3089 B8R1.7 OC(=O)c1cocn1 Amb10071584 [0,0,0,0,2,0|1,0,0]=3 3090 B8R1.7 OC(=O)c1cscc1 Amb1156673 [0,0,0,0,2,0|2,0,0]=4 3091 B8R1.7 OC(=O)c1cscn1 Amb17039667 [0,0,0,0,2,0|1,0,0]=3 3092 B8R1.7 OC(=O)c1cscn1 Amb2455731 [0,0,0,0,2,0|1,0,0]=3 3093 B8R1.7 OC(=O)c1n[nH]cn1 Amb1088840 [0,0,0,0,2,0|1,0,0]=3 3094 B8R1.7 OC(=O)c1n[nH]nn1 Amb17334059 [0,0,0,0,2,0|2,0,0]=4 3095 B8R1.7 OC(=S)c1c[s]c[n]1 Amb24099736 [0,0,0,0,2,0|1,1,0]=4 3096 B8R1.7 OS(=O)c1c[nH]cc1 Amb18221892 [0,0,0,0,2,0|2,0,0]=4 3097 B8R1.7 SC(=S)c1c[nH]cn1 Amb16232212 [0,0,0,0,2,0|0,2,0]=4 3098 B8R1.7 [2H]C(=O)c1c[nH]c[n]1 Amb22365981 [0,0,0,0,2,0|1,0,0]=3 3099 B8R1.7 [O-]C(=O)c1coc[n]1 Amb24104266 [0,0,0,0,2,0|1,0,1]=4 3100 B8R1.7 [O-]C(=O)c1cscn1 Amb13951445 [0,0,0,0,2,0|1,0,1]=4 3101 B8R1.7 [O-][N+](=O)c1c[nH]cn1 Amb1102136 [0,0,0,0,2,0|1,0,1]=4 3102 B8R1.34 OC(=O)CC=1CCC1 Amb24397299 [0,0,0,0,2,0|1,0,1]=4 3103 B10R1.17 C=CCCc1c[n]ccc1 Amb24477186 [1,0,0,0,0,1|2,0,0]=4 3104 B10R1.17 C=CCCc1cccc[n]1 Amb25337662 [1,0,0,0,0,1|2,0,0]=4 3105 B10R1.17 O=CCCc1[n]ccc[n]1 Amb24056162 [1,0,0,0,0,1|1,0,0]=3 3106 B10R1.17 O=CCCc1c[n]c[n]c1 Amb24657168 [1,0,0,0,0,1|0,0,1]=3 3107 B10R1.17 O=CCCc1ccccn1 Amb17081674 [1,0,0,0,0,1|1,0,0]=3 3108 B10R1.17 O=CCCc1cccnc1 Amb17081675 [1,0,0,0,0,1|1,0,0]=3 3109 B10R1.17 O=CCNc1cccc[n]1 Amb24100487 [1,0,0,0,0,1|2,0,0]=4 3110 B10R1.17 O=CCOc1c[n]c[n]c1 Amb24083667 [1,0,0,0,0,1|1,0,1]=4 3111 B10R1.17 O=CCOc1c[n]ccc1 Amb24068437 [1,0,0,0,0,1|2,0,0]=4 3112 B10R1.17 O=CCOc1cc[n]c[n]1 Amb24478315 [1,0,0,0,0,1|1,0,1]=4 3113 B10R1.17 O=CCSc1[n]ccc[n]1 Amb18799502 [1,0,0,0,0,1|2,0,0]=4 3114 B10R1.17 O=CCSc1c[n]cc[n]1 Amb25261998 [1,0,0,0,0,1|1,0,1]=4 3115 B10R1.17 O=CCSc1cc[n]c[n]1 Amb25825832 [1,0,0,0,0,1|1,0,1]=4 3116 B10R1.17 O=CCSc1cccc[n]1 Amb18799459 [1,0,0,0,0,1|2,0,0]=4 3117 B10R1.17 O=CNCc1c[n]cc[n]1 Amb24478911 [1,0,0,0,0,1|1,0,1]=4 3118 B10R1.17 O=CNCc1cc[n]c[n]1 Amb24072457 [1,0,0,0,0,1|1,0,1]=4 3119 B10R1.17 O=CNCc1ccc[n][n]1 Amb25696123 [1,0,0,0,0,1|2,0,0]=4 3120 B10R1.17 O=CNCc1cccc[n]1 Amb22370826 [1,0,0,0,0,1|2,0,0]=4 3121 B10R1.17 OCCCc1[n]ccc[n]1 Amb22499265 [1,0,0,0,0,1|1,0,1]=4 3122 B10R1.17 OCCCc1c[n]c[n]c1 Amb24063145 [1,0,0,0,0,1|0,0,2]=4 3123 B10R1.17 OCCCc1c[n]cc[n]1 Amb22499266 [1,0,0,0,0,1|0,0,2]=4 3124 B10R1.17 OCCCc1cc[n]c[n]1 Amb24099660 [1,0,0,0,0,1|0,0,2]=4 3125 B10R1.17 OCCCc1cccc[n]1 Amb22749323 [1,0,0,0,0,1|1,0,1]=4 3126 B12R1.252 CC(=O)CCCc1cccc[n]1 Amb22284162 [0,0,0,0,0,2|2,0,0]=4 3127 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,0,2|2,0,0]=4 3128 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,0,2|2,0,0]=4 3129 B12R1.252 CC(=O)NCCc1c[n]cc[n]1 Amb25277212 [0,0,0,0,0,2|1,0,1]=4 3130 B12R1.252 CC(=O)NCCc1cccc[n]1 Amb22751848 [0,0,0,0,0,2|2,0,0]=4 3131 B12R1.252 CC(=O)SCCc1ccccn1 Amb17619708 [0,0,0,0,0,2|2,0,0]=4 3132 B12R1.252 NC(=O)CCNc1cc[n]c[n]1 Amb18305880 [0,0,0,0,0,2|1,0,1]=4 3133 B12R1.252 NC(=O)CCNc1ccc[n][n]1 Amb19023335 [0,0,0,0,0,2|2,0,0]=4 3134 B12R1.252 NC(=O)CCNc1ccc[n]c1 Amb25241565 [0,0,0,0,0,2|2,0,0]=4 3135 B12R1.252 NC(=O)CNCc1cccnc1 Amb10609111 [0,0,0,0,0,2|2,0,0]=4 3136 B12R1.252 NC(=O)CNCc1cccnc1 Amb1113716 [0,0,0,0,0,2|2,0,0]=4 3137 B12R1.252 NC(=O)NCCc1ccc[n]c1 Amb19515015 [0,0,0,0,0,2|2,0,0]=4 3138 B12R1.252 OC(=O)C#CCc1c[n]ccc1 Amb24684542 [0,0,0,0,0,2|1,0,1]=4 3139 B12R1.252 OC(=O)C#CCc1cccc[n]1 Amb25700659 [0,0,0,0,0,2|1,0,1]=4 3140 B12R1.252 OC(=O)CC#Cc1c[n]ccc1 Amb25159668 [0,0,0,0,0,2|1,0,1]=4 3141 B12R1.252 OC(=O)CCC[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22056045 [0,0,0,0,0,2|2,0,0]=4 3142 B12R1.252 OC(=O)CCCc1[n][n]cc[n]1 Amb18862703 [0,0,0,0,0,2|1,0,1]=4 3143 B12R1.252 OC(=O)CCCc1[n]c[n]c[n]1 Amb18862704 [0,0,0,0,0,2|0,0,1]=3 3144 B12R1.252 OC(=O)CCCc1[n]ccc[n]1 Amb18862661 [0,0,0,0,0,2|1,0,0]=3 3145 B12R1.252 OC(=O)CCCc1c[n]c[n]c1 Amb18827885 [0,0,0,0,0,2|0,0,1]=3 3146 B12R1.252 OC(=O)CCCc1cc[n]cc1 Amb19929548 [0,0,0,0,0,2|1,0,1]=4 3147 B12R1.252 OC(=O)CCCc1cccc[n]1 Amb19356883 [0,0,0,0,0,2|1,0,0]=3 3148 B12R1.252 OC(=O)CCCc1ccccc1 Amb2388283 [0,0,0,0,0,2|2,0,0]=4 3149 B12R1.252 OC(=O)CCCc1ccccn1 Amb1099328 [0,0,0,0,0,2|1,0,0]=3 3150 B12R1.252 OC(=O)CCCc1cccnc1 Amb17232526 [0,0,0,0,0,2|1,0,0]=3 3151 B12R1.252 OC(=O)CCCc1ccncc1 Amb1099336 [0,0,0,0,0,2|1,0,1]=4 3152 B12R1.252 OC(=O)CCNc1[n][n]cc[n]1 Amb25239586 [0,0,0,0,0,2|1,0,1]=4 3153 B12R1.252 OC(=O)CCNc1c[n]c[n]c1 Amb18933238 [0,0,0,0,0,2|0,0,1]=3 3154 B12R1.252 OC(=O)CCNc1cc[n]c[n]1 Amb19011486 [0,0,0,0,0,2|0,0,1]=3 3155 B12R1.252 OC(=O)CCNc1ccc[n]c1 Amb18269696 [0,0,0,0,0,2|1,0,0]=3 3156 B12R1.252 OC(=O)CCNc1ccccc1 Amb1207377 [0,0,0,0,0,2|2,0,0]=4 3157 B12R1.252 OC(=O)CCNc1ccccn1 Amb10609119 [0,0,0,0,0,2|1,0,0]=3 3158 B12R1.252 OC(=O)CCNc1ncccn1 Amb1109664 [0,0,0,0,0,2|1,0,0]=3 3159 B12R1.252 OC(=O)CCOc1ccccc1 Amb1206804 [0,0,0,0,0,2|2,0,0]=4 3160 B12R1.252 OC(=O)CCSc1ccccc1 Amb1036581 [0,0,0,0,0,2|2,0,0]=4 3161 B12R1.252 OC(=O)CCSc1ccccn1 Amb1133894 [0,0,0,0,0,2|1,0,0]=3 3162 B12R1.252 OC(=O)CNCc1c[n]cc[n]1 Amb19030033 [0,0,0,0,0,2|0,0,1]=3 3163 B12R1.252 OC(=O)CNCc1ccccn1 Amb1111426 [0,0,0,0,0,2|1,0,0]=3 3164 B12R1.252 OC(=O)CNCc1ccccn1 Amb13951702 [0,0,0,0,0,2|1,0,0]=3 3165 B12R1.252 OC(=O)CNCc1cccnc1 Amb1111197 [0,0,0,0,0,2|1,0,0]=3 3166 B12R1.252 OC(=O)CNCc1ccncc1 Amb1110916 [0,0,0,0,0,2|1,0,1]=4 3167 B12R1.252 OC(=O)COCc1ccncc1 Amb13883046 [0,0,0,0,0,2|1,0,1]=4 3168 B12R1.252 OC(=O)CONc1c[n]cc[n]1 Amb25237158 [0,0,0,0,0,2|1,0,1]=4 3169 B12R1.252 OC(=O)CONc1cc[n]c[n]1 Amb24623526 [0,0,0,0,0,2|1,0,1]=4 3170 B12R1.252 OC(=O)CONc1cccc[n]1 Amb24497875 [0,0,0,0,0,2|2,0,0]=4 3171 B12R1.252 OC(=O)CSCc1ccccn1 Amb1126746 [0,0,0,0,0,2|1,0,0]=3 3172 B12R1.252 OC(=O)CSCc1cccnc1 Amb1129471 [0,0,0,0,0,2|1,0,0]=3 3173 B12R1.252 OC(=O)CSCc1ccncc1 Amb1134758 [0,0,0,0,0,2|1,0,1]=4 3174 B12R1.252 OC(=O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,0,2|2,0,0]=4 3175 B12R1.252 OC(=O)C\C=C\c1cccc[n]1 Amb25073201 [0,0,0,0,0,2|1,0,1]=4 3176 B12R1.252 OC(=O)\C=C\Cc1ccc[n]c1 Amb25849857 [0,0,0,0,0,2|1,0,1]=4 3177 B12R1.252 OC(=O)\C=C\Cc1cccc[n]1 Amb25696841 [0,0,0,0,0,2|1,0,1]=4 3178 B12R1.255 CC(=O)CC\C=C\c1cc[nH]c1 Amb18862593 [0,0,0,0,0,2|2,0,0]=4 3179 B12R1.255 OC(=O)CCC#Cc1cc[s]c1 Amb25709829 [0,0,0,0,0,2|2,0,0]=4 3180 B12R1.255 OC(=O)CCC#Cc1ccc[s]1 Amb24471800 [0,0,0,0,0,2|2,0,0]=4 3181 B12R1.255 OC(=O)CCCCc1c[n]c[nH]1 Amb24120610 [0,0,0,0,0,2|0,0,2]=4 3182 B12R1.255 OC(=O)CCNCc1[nH]cc[n]1 Amb18793294 [0,0,0,0,0,2|2,0,0]=4 3183 B12R1.255 OC(=O)CCNCc1[n]cc[s]1 Amb19648826 [0,0,0,0,0,2|2,0,0]=4 3184 B12R1.255 OC(=O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,0,2|2,0,0]=4 3185 B12R1.255 OC(=O)CNCCc1ccc[s]1 Amb19342003 [0,0,0,0,0,2|2,0,0]=4 3186 B12R1.255 OC(=O)CNCCc1nccs1 Amb17315482 [0,0,0,0,0,2|2,0,0]=4